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(S)-1-Carbamoylpyrrolidine-2-carboxylic acid

CAS No.:
125411-62-3
Catalog Number:
AG009DZ8
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG009DZ8
Chemical Name:
(S)-1-Carbamoylpyrrolidine-2-carboxylic acid
CAS Number:
125411-62-3
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
MDL Number:
MFCD03936200
IUPAC Name:
1-carbamoylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)
InChI Key:
RTNFBJXLYMERBB-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCCC1C(=O)O
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Theoretical study on acidities of (S)-proline amide derivatives in DMSO and its implications for organocatalysis. The journal of physical chemistry. A 20100121
Properties