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1279200-14-4 | 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, (2R,4S)-
CAS No: 1279200-14-4 Catalog No: AG000XK7 MDL No:
Product Description
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
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
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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