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13485-59-1 | (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acid
CAS No: 13485-59-1 Catalog No: AG003CIM MDL No:MFCD00037332
Product Description
Catalog Number:
AG003CIM
Chemical Name:
(S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acid
CAS Number:
13485-59-1
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
MDL Number:
MFCD00037332
IUPAC Name:
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
InChI Key:
WPWUFUBLGADILS-WDSKDSINSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C
EC Number:
236-795-8
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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