1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

C16H20N2O3 — CID 80563640

IUPAC1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(CN1CC(C(=O)O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-11-5-1-2-6-11)10-18-9-13(16(20)21)12-7-3-4-8-14(12)18/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)(H,20,21)
InChIKeyVLVSPAXHKQHBQJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80563640) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80563640
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(CN1CC(C(=O)O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-11-5-1-2-6-11)10-18-9-13(16(20)21)12-7-3-4-8-14(12)18/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)(H,20,21)
InChIKeyVLVSPAXHKQHBQJ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262768
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (CID 80563640) is 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid is O=C(CN1CC(C(=O)O)c2ccccc21)NC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is VLVSPAXHKQHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-11-5-1-2-6-11)10-18-9-13(16(20)21)12-7-3-4-8-14(12)18/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.73, 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]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80563640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).