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1279026-55-9 | 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1), (2S,4R)-
CAS No: 1279026-55-9 Catalog No: AG000XJ3 MDL No:
Product Description
Catalog Number:
AG000XJ3
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1), (2S,4R)-
CAS Number:
1279026-55-9
Molecular Formula:
C13H19ClN2O3
Molecular Weight:
286.7546
IUPAC Name:
benzyl (2S,4R)-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+;/m1./s1
InChI Key:
LCLNJVMWXFRKOG-LYCTWNKOSA-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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