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

C13H22N2O3 — CID 107071301

IUPAC1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC(C)C1C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-3-14(10-6-7-10)13(18)15-8-4-5-9(2)11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyPCVOTFJFFVDOGR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds3

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

1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071301) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071301
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC(C)C1C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-3-14(10-6-7-10)13(18)15-8-4-5-9(2)11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyPCVOTFJFFVDOGR-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071301) is 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CCN(C(=O)N1CCCC(C)C1C(=O)O)C1CC1.
What is the InChIKey of 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is PCVOTFJFFVDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-14(10-6-7-10)13(18)15-8-4-5-9(2)11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).