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

2-(2-ethylpyrrolidin-1-yl)-2-oxoacetic acid

CAS No.:
1178837-33-6
Catalog Number:
AG01AC6B
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01AC6B
Chemical Name:
2-(2-ethylpyrrolidin-1-yl)-2-oxoacetic acid
CAS Number:
1178837-33-6
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD12773551
IUPAC Name:
2-(2-ethylpyrrolidin-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C8H13NO3/c1-2-6-4-3-5-9(6)7(10)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
PGATYKHTAGMWFI-UHFFFAOYSA-N
SMILES:
CCC1CCCN1C(=O)C(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties