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940541-91-3 | 4-{3-[(Isopropylamino)carbonyl]anilino}-4-oxobutanoic acid
CAS No: 940541-91-3 Catalog No: AG01FOCU MDL No:
Product Description
Catalog Number:
AG01FOCU
Chemical Name:
4-{3-[(Isopropylamino)carbonyl]anilino}-4-oxobutanoic acid
CAS Number:
940541-91-3
IUPAC Name:
4-oxo-4-[3-(propan-2-ylcarbamoyl)anilino]butanoic acid
InChI:
InChI=1S/C14H18N2O4/c1-9(2)15-14(20)10-4-3-5-11(8-10)16-12(17)6-7-13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChI Key:
ZNEMYADOXLRHOE-UHFFFAOYSA-N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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