4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid

C15H18N2O4 — CID 46761186

IUPAC4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
SMILESCc1c(NC(=O)CCC(=O)O)cccc1NC(=O)C1CC1
InChIInChI=1S/C15H18N2O4/c1-9-11(16-13(18)7-8-14(19)20)3-2-4-12(9)17-15(21)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyDSIXHUSEJKIAKO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.15
Rot. Bonds6

About 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid

4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid (PubChem CID 46761186) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
PubChem CID46761186
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
SMILESCc1c(NC(=O)CCC(=O)O)cccc1NC(=O)C1CC1
InChIInChI=1S/C15H18N2O4/c1-9-11(16-13(18)7-8-14(19)20)3-2-4-12(9)17-15(21)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyDSIXHUSEJKIAKO-UHFFFAOYSA-N
XLogP2.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 46761188
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54818995
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761183
N-[2-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844978
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid (CID 46761186) is 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid is Cc1c(NC(=O)CCC(=O)O)cccc1NC(=O)C1CC1.
What is the InChIKey of 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid?
The InChIKey is DSIXHUSEJKIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-11(16-13(18)7-8-14(19)20)3-2-4-12(9)17-15(21)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid?
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid has a molecular weight of 290.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid is sourced from PubChem (CID 46761186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).