2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid

C12H19NO3 — CID 60792176

IUPAC2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-8-10(9)12(15)16)13-6-4-2-1-3-5-7-13/h9-10H,1-8H2,(H,15,16)
InChIKeyCUHGLPQIOAYUGT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid

2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 60792176) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID60792176
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-8-10(9)12(15)16)13-6-4-2-1-3-5-7-13/h9-10H,1-8H2,(H,15,16)
InChIKeyCUHGLPQIOAYUGT-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azocane-1-carbonyl)cyclopropane-1-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

trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
trans-(1R,2R)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119643
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 131160531

Frequently Asked Questions

What is the IUPAC name of 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid (CID 60792176) is 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCCCCCC1.
What is the InChIKey of 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is CUHGLPQIOAYUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(9-8-10(9)12(15)16)13-6-4-2-1-3-5-7-13/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).