3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid

C18H24N2O2 — CID 117175748

IUPAC3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)n1cc(CNC2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C18H24N2O2/c1-12(2)20-11-14(10-19-15-5-3-4-6-15)16-9-13(18(21)22)7-8-17(16)20/h7-9,11-12,15,19H,3-6,10H2,1-2H3,(H,21,22)
InChIKeyDKZHXDAJEOEAEK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.95
Rot. Bonds5

About 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid

3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid (PubChem CID 117175748) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
PubChem CID117175748
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)n1cc(CNC2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C18H24N2O2/c1-12(2)20-11-14(10-19-15-5-3-4-6-15)16-9-13(18(21)22)7-8-17(16)20/h7-9,11-12,15,19H,3-6,10H2,1-2H3,(H,21,22)
InChIKeyDKZHXDAJEOEAEK-UHFFFAOYSA-N
XLogP3.95
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid (CID 117175748) is 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid is CC(C)n1cc(CNC2CCCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid?
The InChIKey is DKZHXDAJEOEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)20-11-14(10-19-15-5-3-4-6-15)16-9-13(18(21)22)7-8-17(16)20/h7-9,11-12,15,19H,3-6,10H2,1-2H3,(H,21,22).
What are the key properties of 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid?
3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 117175748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).