1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid

C18H24N2O2 — CID 145363532

IUPAC1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)c1cn(C[C@H]2CCN(C)C2)c2ccc(C(=O)O)cc12
InChIInChI=1S/C18H24N2O2/c1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyWAFVPSKOPIMSSO-ZDUSSCGKSA-N
MW300.40 g/mol
LogP3.41
Rot. Bonds4

About 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid

1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid (PubChem CID 145363532) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid
PubChem CID145363532
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)c1cn(C[C@H]2CCN(C)C2)c2ccc(C(=O)O)cc12
InChIInChI=1S/C18H24N2O2/c1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyWAFVPSKOPIMSSO-ZDUSSCGKSA-N
XLogP3.41
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-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 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid (CID 145363532) is 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid is CC(C)c1cn(C[C@H]2CCN(C)C2)c2ccc(C(=O)O)cc12.
What is the InChIKey of 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid?
The InChIKey is WAFVPSKOPIMSSO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17/h4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid?
1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 145363532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).