1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid

C16H18N2O3 — CID 63748060

IUPAC1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
SMILESO=C(Cn1ccc2cc(C(=O)O)ccc21)NC1CCCC1
InChIInChI=1S/C16H18N2O3/c19-15(17-13-3-1-2-4-13)10-18-8-7-11-9-12(16(20)21)5-6-14(11)18/h5-9,13H,1-4,10H2,(H,17,19)(H,20,21)
InChIKeyHCLCWYDRTGTKQF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid

1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid (PubChem CID 63748060) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
PubChem CID63748060
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
SMILESO=C(Cn1ccc2cc(C(=O)O)ccc21)NC1CCCC1
InChIInChI=1S/C16H18N2O3/c19-15(17-13-3-1-2-4-13)10-18-8-7-11-9-12(16(20)21)5-6-14(11)18/h5-9,13H,1-4,10H2,(H,17,19)(H,20,21)
InChIKeyHCLCWYDRTGTKQF-UHFFFAOYSA-N
XLogP2.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
CID 107920614
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
1-[2-[2-(3-carboxypropoxy)anilino]-2-oxoethyl]indole-5-carboxylic acid
CID 139670856
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
CID 175926008
CID 175926008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid (CID 63748060) is 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid is O=C(Cn1ccc2cc(C(=O)O)ccc21)NC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid?
The InChIKey is HCLCWYDRTGTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(17-13-3-1-2-4-13)10-18-8-7-11-9-12(16(20)21)5-6-14(11)18/h5-9,13H,1-4,10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid?
1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid is sourced from PubChem (CID 63748060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).