Home Carboxys 1-(1-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
845546-22-7
Catalog Number:
AG00J99K
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
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Product Description
Catalog Number:
AG00J99K
Chemical Name:
1-(1-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
845546-22-7
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD07364762
IUPAC Name:
5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-3-4-7(2)11-6-8(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChI Key:
OEQPHPCHESPSFE-UHFFFAOYSA-N
SMILES:
CC(N1CC(CC1=O)C(=O)O)CCC
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties