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

C14H20N2O4 — CID 62480074

IUPAC2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCc1ccccc1NC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyGDGUBTCIMCSOJK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.86
Rot. Bonds7

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

2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid (PubChem CID 62480074) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
PubChem CID62480074
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCc1ccccc1NC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyGDGUBTCIMCSOJK-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

(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480081
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
2-[(3-bromo-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107627351
2-[(2,3-dimethylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81086394
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
CID 82731415
4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid (CID 62480074) is 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid is CCc1ccccc1NC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is GDGUBTCIMCSOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid?
2-[(2-ethylphenyl)carbamoylamino]-4-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 2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).