Name: Name:1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
Brand: Angene
SKU: AG0001C4
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-

CAS No.:

1002360-09-9

Catalog Number:

AG0001C4

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

Catalog Number:

AG0001C4

Chemical Name:

1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-

CAS Number:

1002360-09-9

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

MDL Number:

MFCD09878775

IUPAC Name:

tert-butyl (3S)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

InChI:

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1

InChI Key:

DPJNXCVNNCIYKQ-HNNXBMFYSA-N

SMILES:

O=C(N[C@H]1CCCN(C1)C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.416g/mol

Monoisotopic Mass:

334.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9