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145602-88-6 | 3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, methyl ester
CAS No: 145602-88-6 Catalog No: AG001D8E MDL No:MFCD09608112
Product Description
Catalog Number:
AG001D8E
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-, methyl ester
CAS Number:
145602-88-6
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD09608112
IUPAC Name:
methyl 3-amino-1-benzylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-17-12(16)13(14)7-8-15(10-13)9-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChI Key:
YKDAFRKLQDUTAP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCN(C1)Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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