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1217609-33-0 | 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1), (2R,4S)-rel-
CAS No: 1217609-33-0 Catalog No: AG0015UM MDL No:MFCD11101168
Product Description
Catalog Number:
AG0015UM
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1), (2R,4S)-rel-
CAS Number:
1217609-33-0
Molecular Formula:
C13H19ClN2O3
Molecular Weight:
286.7546
MDL Number:
MFCD11101168
IUPAC Name:
benzyl (2R,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O3.ClH/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;1H/t11-,12+;/m0./s1
InChI Key:
LCLNJVMWXFRKOG-ZVWHLABXSA-N
SMILES:
OC[C@H]1C[C@@H](CN1C(=O)OCc1ccccc1)N.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.756g/mol
Monoisotopic Mass:
286.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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