(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid

C15H22N2O4 — CID 107843103

IUPAC(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-9-8-11-6-4-7-12(10-11)21-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyDBLFIHAHONPIDY-ZDUSSCGKSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds8

About (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid

(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107843103) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
PubChem CID107843103
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-9-8-11-6-4-7-12(10-11)21-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyDBLFIHAHONPIDY-ZDUSSCGKSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic 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

2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 107843133
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
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
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid (CID 107843103) is (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCCc1cccc(OC)c1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is DBLFIHAHONPIDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-5-13(14(18)19)17-15(20)16-9-8-11-6-4-7-12(10-11)21-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid?
(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107843103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).