4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid

C14H20N2O4 — CID 103158478

IUPAC4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCc1ccccc1NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h4-7,11H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyKKGGCTKGYHNEAH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.86
Rot. Bonds7

About 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid

4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103158478) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103158478
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCCc1ccccc1NC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h4-7,11H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyKKGGCTKGYHNEAH-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
4-[(2-bromo-3-methylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159735
4-[(2,6-dichlorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159557
4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158599
3-methoxy-4-[(4-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 103158329
4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159652
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-methyl-4-[[2-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 81070076
4-[(4-bromo-2,5-difluorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 107614382
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid (CID 103158478) is 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid is CCc1ccccc1NC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is KKGGCTKGYHNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-12(10)16-14(19)15-9-11(20-2)8-13(17)18/h4-7,11H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid?
4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).