3-Pyridinebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)- supplier

Name
BOC-(S)-3-AMINO-4-(3-PYRIDYL)-BUTYRIC ACID
EINECS
CAS No. 208404-16-4
Density 1.175g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀N₂O₄
Boiling Point 469.9 °C at 760 mmHg
Molecular Weight 280.32
Flash Point 238 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms RARECHEM AK PT B033;N-BETA-T-BUTOXYCARBONYL-L-HOMO(3-PYRIDYL)ALANINE;N-T-BUTOXYCARBONYL-(S)-3-AMINO-4-(3-PYRIDYL)BUTANOIC ACID;BOC-(S)-3-AMINO-4-(3-PYRIDYL)BUTANOIC ACID;BOC-(S)-3-AMINO-4-(3-PYRIDYL)-BUTYRIC ACID;BOC-(3-PYRIDYL)-L-BETA-HOMOALANINE;BOC-BETA-HOALA(3-PYRIDYL)-OH;BOC-ALA(3-PYRI)-(C*CH2)OH
PSA 88.52000
LogP 2.38300

3-Pyridinebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)- Specification

The 3-Pyridinebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)-, with CAS registry number 208404-16-4, belongs to the following product category: 3-Amino-4-phenylbutanoic Acid Analogs. It has the systematic name of (3S)-3-[(tert-butoxycarbonyl)amino]-4-pyridin-3-ylbutanoic acid. And the chemical formula of this chemical is C₁₄H₂₀N₂O₄.

Physical properties of 3-Pyridinebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)-: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 73.18 cm³; (15)Molar Volume: 238.3 cm³; (16)Polarizability: 29.01×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 238 °C; (20)Enthalpy of Vaporization: 77.15 kJ/mol; (21)Boiling Point: 469.9 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1cccnc1)CC(=O)O
(2)InChI: InChI=1/C14H20N2O4/c1-14(2,3)20-13(19)16-11(8-12(17)18)7-10-5-4-6-15-9-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: JSWWEGRTQTXLFX-NSHDSACABV
(4)Std. InChI: InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(8-12(17)18)7-10-5-4-6-15-9-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: JSWWEGRTQTXLFX-NSHDSACASA-N

Product Name

BOC-(S)-3-AMINO-4-(3-PYRIDYL)-BUTYRIC ACID

3-Pyridinebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)- Specification

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