4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid

C14H20N2O4 — CID 81072787

IUPAC4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCOc1ccccc1NC(=O)NCC(C)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-20-12-7-5-4-6-11(12)16-14(19)15-9-10(2)8-13(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIMWYFGKBVOIFCL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.32
Rot. Bonds7

About 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid

4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 81072787) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID81072787
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCOc1ccccc1NC(=O)NCC(C)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-20-12-7-5-4-6-11(12)16-14(19)15-9-10(2)8-13(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIMWYFGKBVOIFCL-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
CID 111452855
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
4-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066208
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid (CID 81072787) is 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid is CCOc1ccccc1NC(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is IMWYFGKBVOIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-12-7-5-4-6-11(12)16-14(19)15-9-10(2)8-13(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81072787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).