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1217476-22-6 | L-Proline, 4-amino-1-benzoyl-, methyl ester, hydrochloride (1:1), (4S)-
CAS No: 1217476-22-6 Catalog No: AG0015Q1 MDL No:MFCD11101178
Product Description
Catalog Number:
AG0015Q1
Chemical Name:
L-Proline, 4-amino-1-benzoyl-, methyl ester, hydrochloride (1:1), (4S)-
CAS Number:
1217476-22-6
Molecular Formula:
C13H17ClN2O3
Molecular Weight:
284.7387
MDL Number:
MFCD11101178
IUPAC Name:
methyl (2S,4S)-4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C13H16N2O3.ClH/c1-18-13(17)11-7-10(14)8-15(11)12(16)9-5-3-2-4-6-9;/h2-6,10-11H,7-8,14H2,1H3;1H/t10-,11-;/m0./s1
InChI Key:
XEXLBAVGJNOWOE-ACMTZBLWSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)N.Cl
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
284.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.74g/mol
Monoisotopic Mass:
284.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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