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207983-49-1 | 1,3-Cyclopentanedicarboxylic acid, 1-amino-2-methyl-, (1S,2R,3R)-
CAS No: 207983-49-1 Catalog No: AG002JF3 MDL No:
Product Description
Catalog Number:
AG002JF3
Chemical Name:
1,3-Cyclopentanedicarboxylic acid, 1-amino-2-methyl-, (1S,2R,3R)-
CAS Number:
207983-49-1
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
(1S,2R,3R)-1-amino-2-methylcyclopentane-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-4-5(6(10)11)2-3-8(4,9)7(12)13/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t4-,5-,8+/m1/s1
InChI Key:
STIVVGOWGUYXGI-LRMHIPNDSA-N
SMILES:
OC(=O)[C@@H]1CC[C@@]([C@@H]1C)(N)C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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