Home Other Building Blocks 4-[(propan-2-yl)carbamoyl]butanoic acid

4-[(propan-2-yl)carbamoyl]butanoic acid

CAS No.:
59481-43-5
Catalog Number:
AG01AAML
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
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Product Description
Catalog Number:
AG01AAML
Chemical Name:
4-[(propan-2-yl)carbamoyl]butanoic acid
CAS Number:
59481-43-5
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD03367185
IUPAC Name:
5-oxo-5-(propan-2-ylamino)pentanoic acid
InChI:
InChI=1S/C8H15NO3/c1-6(2)9-7(10)4-3-5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
CLFRIXJGHWEGNO-UHFFFAOYSA-N
SMILES:
CC(NC(=O)CCCC(=O)O)C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties