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125292-93-5 | 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-hydroxy-1-methylethyl)-, [2S-(2α,3β,4α)]- (9CI)
CAS No: 125292-93-5 Catalog No: AG000NG4 MDL No:
Product Description
Catalog Number:
AG000NG4
Chemical Name:
3-Pyrrolidineacetic acid, 2-carboxy-4-(1-hydroxy-1-methylethyl)-, [2S-(2α,3β,4α)]- (9CI)
CAS Number:
125292-93-5
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
IUPAC Name:
(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-10(2,16)6-4-11-8(9(14)15)5(6)3-7(12)13/h5-6,8,11,16H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t5-,6+,8-/m0/s1
InChI Key:
ZGEUBGPBYKPRFI-BBVRLYRLSA-N
SMILES:
OC(=O)C[C@@H]1[C@H](NC[C@H]1C(O)(C)C)C(=O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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