Name: Name:1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, phenylmethyl ester, (3S)-
Brand: Angene
SKU: AG001G37
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, phenylmethyl ester, (3S)-

CAS No.:

1412254-93-3

Catalog Number:

AG001G37

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

Catalog Number:

AG001G37

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, phenylmethyl ester, (3S)-

CAS Number:

1412254-93-3

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

MDL Number:

MFCD29037434

IUPAC Name:

benzyl (3S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)19(4)15-10-11-20(12-15)17(22)23-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m0/s1

InChI Key:

GPLYNTQEYZSUCL-HNNXBMFYSA-N

SMILES:

O=C(OC(C)(C)C)CN[C@H]1CCN(C1)C(=O)OCc1ccccc1

Complexity:

441

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:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7