Home Carboxys 3-[(2-carboxyethyl)carbamoyl]propanoic acid

3-[(2-carboxyethyl)carbamoyl]propanoic acid

CAS No.:
78238-72-9
Catalog Number:
AG019YH6
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
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Product Description
Catalog Number:
AG019YH6
Chemical Name:
3-[(2-carboxyethyl)carbamoyl]propanoic acid
CAS Number:
78238-72-9
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
MDL Number:
MFCD00481984
IUPAC Name:
4-(2-carboxyethylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
NFQWOKKYYQQDCQ-UHFFFAOYSA-N
SMILES:
O=C(CCC(=O)O)NCCC(=O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties