Name: Name:1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, (2R,4S)-
Brand: Angene
SKU: AG000XK7
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, (2R,4S)-

CAS No.:

1279200-14-4

Catalog Number:

AG000XK7

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

Catalog Number:

AG000XK7

Chemical Name:

1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, (2R,4S)-

CAS Number:

1279200-14-4

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

MDL Number:

MFCD09954291

IUPAC Name:

benzyl (2R,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C13H18N2O3/c14-11-6-12(8-16)15(7-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12+/m0/s1

InChI Key:

JOOCDHCBMLBIIN-NWDGAFQWSA-N

SMILES:

OC[C@H]1C[C@@H](CN1C(=O)OCc1ccccc1)N

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.298g/mol

Monoisotopic Mass:

250.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3