4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid

C13H16N2O5 — CID 28746072

IUPAC4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-8-3-4-10(20-2)9(7-8)14-13(19)15-11(16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDIPRNTSHAVOITP-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.52
Rot. Bonds5

About 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid

4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 28746072) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID28746072
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-8-3-4-10(20-2)9(7-8)14-13(19)15-11(16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDIPRNTSHAVOITP-UHFFFAOYSA-N
XLogP1.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid (CID 28746072) is 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid is COc1ccc(C)cc1NC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is DIPRNTSHAVOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-3-4-10(20-2)9(7-8)14-13(19)15-11(16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid?
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 28746072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).