2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C12H19NO3 — CID 62936035

IUPAC2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-12(2)3-5-13(6-4-12)10(14)8-7-9(8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyXLDMCKGHOLPPOO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds2

About 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 62936035) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID62936035
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-12(2)3-5-13(6-4-12)10(14)8-7-9(8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyXLDMCKGHOLPPOO-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-dimethylpiperidine-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

2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377338
cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092294
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 62936035) is 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is CC1(C)CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is XLDMCKGHOLPPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)3-5-13(6-4-12)10(14)8-7-9(8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62936035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).