1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

C14H24N2O3 — CID 107071894

IUPAC1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCC1(NC(=O)N2CCCC(C)C2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c1-3-14(7-5-8-14)15-13(19)16-9-4-6-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVAOKAAXUWFMKGQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.21
Rot. Bonds3

About 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071894) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071894
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCC1(NC(=O)N2CCCC(C)C2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c1-3-14(7-5-8-14)15-13(19)16-9-4-6-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVAOKAAXUWFMKGQ-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylcyclobutyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114108811
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 104866292
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
3-methyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071675
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
3-methyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071782

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071894) is 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CCC1(NC(=O)N2CCCC(C)C2C(=O)O)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is VAOKAAXUWFMKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(7-5-8-14)15-13(19)16-9-4-6-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).