Home Other Building Blocks 2-(3-methylpyrrolidin-1-yl)-2-oxoacetic acid

2-(3-methylpyrrolidin-1-yl)-2-oxoacetic acid

CAS No.:
1251118-37-2
Catalog Number:
AG01AC93
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
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Product Description
Catalog Number:
AG01AC93
Chemical Name:
2-(3-methylpyrrolidin-1-yl)-2-oxoacetic acid
CAS Number:
1251118-37-2
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD14601463
IUPAC Name:
2-(3-methylpyrrolidin-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C7H11NO3/c1-5-2-3-8(4-5)6(9)7(10)11/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
CPTDOGLZSBLGDF-UHFFFAOYSA-N
SMILES:
CC1CCN(C1)C(=O)C(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties