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

C15H18N2O3 — CID 62827427

IUPAC3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cccc2[nH]ccc12)C(C)CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-3-17(10(2)9-14(18)19)15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,18,19)
InChIKeyLAPLCFTYAKNEHX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.49
Rot. Bonds5

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

3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid (PubChem CID 62827427) 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]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
PubChem CID62827427
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cccc2[nH]ccc12)C(C)CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-3-17(10(2)9-14(18)19)15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,18,19)
InChIKeyLAPLCFTYAKNEHX-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62827566
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
3-[(2,3-dimethylbenzoyl)-ethylamino]butanoic acid
CID 62820337
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
3-[ethyl-(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 62820863
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid (CID 62827427) is 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid is CCN(C(=O)c1cccc2[nH]ccc12)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid?
The InChIKey is LAPLCFTYAKNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17(10(2)9-14(18)19)15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,10,16H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid?
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.49, 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]butanoic acid is sourced from PubChem (CID 62827427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).