3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid

C12H19NO3 — CID 105359954

IUPAC3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(C2CCCCCC2)C(C(=O)O)N1
InChIInChI=1S/C12H19NO3/c14-10-7-9(11(13-10)12(15)16)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,13,14)(H,15,16)
InChIKeyDAIYFHJKPGEYFQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds2

About 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid

3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359954) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359954
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(C2CCCCCC2)C(C(=O)O)N1
InChIInChI=1S/C12H19NO3/c14-10-7-9(11(13-10)12(15)16)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,13,14)(H,15,16)
InChIKeyDAIYFHJKPGEYFQ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cycloheptyl-5-oxopyrrolidine-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

5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 105360004
3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893
(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid
CID 55300983
(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698620
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
3-tert-butyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359947
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
3-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 175573058
(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
CID 124707465
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid (CID 105359954) is 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(C2CCCCCC2)C(C(=O)O)N1.
What is the InChIKey of 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is DAIYFHJKPGEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10-7-9(11(13-10)12(15)16)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid?
3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).