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1629681-80-6 | 3-Pyrrolidinecarboxylic acid, 1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-, (3R)-
CAS No: 1629681-80-6 Catalog No: AG001TK6 MDL No:MFCD28502363
Product Description
Catalog Number:
AG001TK6
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-, (3R)-
CAS Number:
1629681-80-6
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
MDL Number:
MFCD28502363
IUPAC Name:
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO5/c1-19-11-4-3-9(12(6-11)20-2)7-15-8-10(14(17)18)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChI Key:
OZFGRQLUQFPWPR-SNVBAGLBSA-N
SMILES:
COc1cc(OC)ccc1CN1C[C@@H](CC1=O)C(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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