2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid

C14H20N2O4 — CID 103996278

IUPAC2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-12(13(17)18)16-14(19)15-8-7-10-5-4-6-11(9-10)20-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOKPREIGCJJWCNB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid

2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid (PubChem CID 103996278) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
PubChem CID103996278
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-12(13(17)18)16-14(19)15-8-7-10-5-4-6-11(9-10)20-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOKPREIGCJJWCNB-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 107843103
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 107843133
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
3-[2-(3-methoxyphenyl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 107843109
1-[2-(3-methoxyphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108900991
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid (CID 103996278) is 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid is CCC(NC(=O)NCCc1cccc(OC)c1)C(=O)O.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is OKPREIGCJJWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-12(13(17)18)16-14(19)15-8-7-10-5-4-6-11(9-10)20-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid?
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 103996278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).