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188578-54-3 | 1-Pyrrolidineacetic acid, 4-amino-2-carboxy-, (2R-trans)- (9CI)
CAS No: 188578-54-3 Catalog No: AG002H0F MDL No:
Product Description
Catalog Number:
AG002H0F
Chemical Name:
1-Pyrrolidineacetic acid, 4-amino-2-carboxy-, (2R-trans)- (9CI)
CAS Number:
188578-54-3
Molecular Formula:
C7H12N2O4
Molecular Weight:
188.1812
IUPAC Name:
(2R,4S)-4-amino-1-(carboxymethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C7H12N2O4/c8-4-1-5(7(12)13)9(2-4)3-6(10)11/h4-5H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1
InChI Key:
DQKMXMVIFJPIEE-CRCLSJGQSA-N
SMILES:
N[C@H]1C[C@@H](N(C1)CC(=O)O)C(=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.183g/mol
Monoisotopic Mass:
188.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
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