3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid

C18H24N2O3 — CID 166748735

IUPAC3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
SMILESO=C(O)C(CC1CCCCC1)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O3/c21-17(22)15(12-13-6-2-1-3-7-13)19-18(23)20-11-10-14-8-4-5-9-16(14)20/h4-5,8-9,13,15H,1-3,6-7,10-12H2,(H,19,23)(H,21,22)
InChIKeySDAVKCMXLPGCSD-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.18
Rot. Bonds4

About 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid

3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid (PubChem CID 166748735) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
PubChem CID166748735
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
SMILESO=C(O)C(CC1CCCCC1)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O3/c21-17(22)15(12-13-6-2-1-3-7-13)19-18(23)20-11-10-14-8-4-5-9-16(14)20/h4-5,8-9,13,15H,1-3,6-7,10-12H2,(H,19,23)(H,21,22)
InChIKeySDAVKCMXLPGCSD-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
CID 61230248
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
CID 166257935
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
4-amino-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-oxobutanoic acid
CID 61184722
N-[(E,2S)-1-cyclohexyl-5-(2,3-dihydroindol-1-yl)-5-oxopent-3-en-2-yl]azetidine-2-carboxamide
CID 140583718
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
(2S)-N-[(2S)-1-cyclobutyl-5-(2,3-dihydroindol-1-yl)-5-oxopent-3-en-2-yl]piperidine-2-carboxamide
CID 67772918

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid?
The IUPAC name of 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid (CID 166748735) is 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid is O=C(O)C(CC1CCCCC1)NC(=O)N1CCc2ccccc21.
What is the InChIKey of 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid?
The InChIKey is SDAVKCMXLPGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(22)15(12-13-6-2-1-3-7-13)19-18(23)20-11-10-14-8-4-5-9-16(14)20/h4-5,8-9,13,15H,1-3,6-7,10-12H2,(H,19,23)(H,21,22).
What are the key properties of 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid?
3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid has a molecular weight of 316.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid is sourced from PubChem (CID 166748735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).