4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid

C15H20N2O3 — CID 80573426

IUPAC4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(6-7-15(19)20)17-14(18)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGOUFGDGORSVTED-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds6

About 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid

4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 80573426) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
PubChem CID80573426
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(6-7-15(19)20)17-14(18)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyGOUFGDGORSVTED-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(1-cyclopropylpropan-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573557
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 107146830
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 80571900
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid (CID 80573426) is 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)CC1CNc2ccccc21.
What is the InChIKey of 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is GOUFGDGORSVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(6-7-15(19)20)17-14(18)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid?
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 80573426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).