3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid

C18H22N2O3 — CID 75498111

IUPAC3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc2c(CCC(=O)NC3CCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-11-3-2-4-15-13(10-19-17(11)15)6-8-16(21)20-14-7-5-12(9-14)18(22)23/h2-4,10,12,14,19H,5-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyKZCOEHYSZFLAJG-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.78
Rot. Bonds5

About 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid

3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 75498111) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID75498111
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc2c(CCC(=O)NC3CCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-11-3-2-4-15-13(10-19-17(11)15)6-8-16(21)20-14-7-5-12(9-14)18(22)23/h2-4,10,12,14,19H,5-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyKZCOEHYSZFLAJG-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111696845
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 119176343
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167939
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678962
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 75498111) is 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is Cc1cccc2c(CCC(=O)NC3CCC(C(=O)O)C3)c[nH]c12.
What is the InChIKey of 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KZCOEHYSZFLAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-3-2-4-15-13(10-19-17(11)15)6-8-16(21)20-14-7-5-12(9-14)18(22)23/h2-4,10,12,14,19H,5-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 75498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).