3-cycloheptylpyrrolidine-2-carboxylic acid

C12H21NO2 — CID 79337893

IUPAC3-cycloheptylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCCC1C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-10(7-8-13-11)9-5-3-1-2-4-6-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyNPZTWAYUUHJBHK-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds2

About 3-cycloheptylpyrrolidine-2-carboxylic acid

3-cycloheptylpyrrolidine-2-carboxylic acid (PubChem CID 79337893) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-cycloheptylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-cycloheptylpyrrolidine-2-carboxylic acid
PubChem CID79337893
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-cycloheptylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCCC1C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-10(7-8-13-11)9-5-3-1-2-4-6-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyNPZTWAYUUHJBHK-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cycloheptylpyrrolidine-2-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

Related Compounds

(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
(2S)-3-(4-oxocyclohexyl)pyrrolidine-2-carboxylic acid
CID 130409934
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(1S,2R,6S)-3-azabicyclo[4.1.0]heptane-2-carboxylic acid;hydrochloride
CID 154814140
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate
CID 154544211
3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359954
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3-cycloheptylpyrrolidine-2-carboxylic acid (CID 79337893) is 3-cycloheptylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-cycloheptylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-cycloheptylpyrrolidine-2-carboxylic acid is O=C(O)C1NCCC1C1CCCCCC1.
What is the InChIKey of 3-cycloheptylpyrrolidine-2-carboxylic acid?
The InChIKey is NPZTWAYUUHJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)11-10(7-8-13-11)9-5-3-1-2-4-6-9/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 3-cycloheptylpyrrolidine-2-carboxylic acid?
3-cycloheptylpyrrolidine-2-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79337893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).