2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C12H19NO3 — CID 60791393

IUPAC2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)C1CC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7-4-3-5-8(2)13(7)11(14)9-6-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyLYWOPXDPYKVULW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 60791393) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID60791393
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)C1CC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7-4-3-5-8(2)13(7)11(14)9-6-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyLYWOPXDPYKVULW-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

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Related Compounds

cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124523302
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782781
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130610130
(2S,3S)-3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124723449
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 60791393) is 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is CC1CCCC(C)N1C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is LYWOPXDPYKVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-4-3-5-8(2)13(7)11(14)9-6-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(2,6-dimethylpiperidine-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-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).