2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C12H19NO3 — CID 120974339

IUPAC2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyDWAHFVCLAGWJOF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 120974339) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID120974339
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyDWAHFVCLAGWJOF-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

(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
trans-(1R,3R)-2,2-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 98167469
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
cis-(1S,2R)-2-(2,4-dimethyl-1,4-diazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093363
1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83053442
cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124523302
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 120974339) is 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is CC1CCCCN1C(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is DWAHFVCLAGWJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
2-(2-methylpiperidine-1-carbonyl)cyclobutane-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-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).