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144017-84-5 | 3-Pyrrolidineacetic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, (3R,4S)-rel-
CAS No: 144017-84-5 Catalog No: AG001ISA MDL No:
Product Description
Catalog Number:
AG001ISA
Chemical Name:
3-Pyrrolidineacetic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, (3R,4S)-rel-
CAS Number:
144017-84-5
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
ethyl 2-(4-amino-1-benzylpyrrolidin-3-yl)acetate
InChI:
InChI=1S/C15H22N2O2/c1-2-19-15(18)8-13-10-17(11-14(13)16)9-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3
InChI Key:
NZWSMTBLVXYYPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@@H]1CN(C[C@H]1N)Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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