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4-Piperidinepropanoicacid, b-amino-1-[(phenylmethoxy)carbonyl]- (773123-81-2)

Identification
Name:4-Piperidinepropanoicacid, b-amino-1-[(phenylmethoxy)carbonyl]-
Synonyms:3-{[(Benzyloxy)carbonyl]amino}-3-(piperidin-4-yl)propanoic acid;
CAS:773123-81-2
Molecular Formula: C16H22N2O4
Molecular Weight: 306.36
InChI: InChI=1/C16H22N2O4/c19-15(20)10-14(13-6-8-17-9-7-13)18-16(21)22-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,21)(H,19,20)
Molecular Structure: (C16H22N2O4) 3-{[(Benzyloxy)carbonyl]amino}-3-(piperidin-4-yl)propanoic acid;
Properties
Density:1.244
Refractive index:1.547
Specification:

The 3-(N-Cbz-Piperidin-4-yl)-3-aminopropanoic acid, with cas registry number 773123-81-2, has the systematic name of 3-(benzyloxycarbonylamino)-3-(4-piperidyl)propanoic acid. And it is also called 4-piperidinepropanoic acid, β-[[(phenylmethoxy)carbonyl]amino]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 78.87 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 80.95 cm3; (9)Molar Volume: 255.2 cm3; (10)Polarizability: 32.09×10-24cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Enthalpy of Vaporization: 83.99 kJ/mol; (13)Vapour Pressure: 8.23E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1ccc(cc1)COC(=O)NC(CC(=O)O)C2CCNCC2
(2)InChI: InChI=1/C16H22N2O4/c19-15(20)10-14(13-6-8-17-9-7-13)18-16(21)22-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,21)(H,19,20)
(3)InChIKey: UHDGOUUGHMJUST-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H22N2O4/c19-15(20)10-14(13-6-8-17-9-7-13)18-16(21)22-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,21)(H,19,20)
(5)Std. InChIKey: UHDGOUUGHMJUST-UHFFFAOYSA-N

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