3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid

C15H18N2O3 — CID 62827566

IUPAC3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H18N2O3/c1-3-17(9-10(2)15(19)20)14(18)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,19,20)
InChIKeyYGFVCEKRXUAIEB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.35
Rot. Bonds5

About 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid

3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62827566) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62827566
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H18N2O3/c1-3-17(9-10(2)15(19)20)14(18)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,19,20)
InChIKeyYGFVCEKRXUAIEB-UHFFFAOYSA-N
XLogP2.35
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic 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

3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
CID 60959260
3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
CID 60958905
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]-2-methylpropanoic acid
CID 119033249
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid (CID 62827566) is 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YGFVCEKRXUAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17(9-10(2)15(19)20)14(18)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62827566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).