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147235-94-7 | 3-Pyrrolidineacetic acid, 5-carboxy-, (3S,5S)-
CAS No: 147235-94-7 Catalog No: AG001EPX MDL No:
Product Description
Catalog Number:
AG001EPX
Chemical Name:
3-Pyrrolidineacetic acid, 5-carboxy-, (3S,5S)-
CAS Number:
147235-94-7
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
(2S,4S)-4-(carboxymethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C7H11NO4/c9-6(10)2-4-1-5(7(11)12)8-3-4/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChI Key:
QNMBUGAPKCBEDP-WHFBIAKZSA-N
SMILES:
OC(=O)C[C@H]1CN[C@@H](C1)C(=O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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