1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

C12H20N2O3 — CID 104597783

IUPAC1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O3/c1-12(10(15)16)6-2-3-7-14(12)11(17)13-8-9-4-5-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyJDUUAGVVKXTQAS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.44
Rot. Bonds3

About 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597783) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597783
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O3/c1-12(10(15)16)6-2-3-7-14(12)11(17)13-8-9-4-5-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyJDUUAGVVKXTQAS-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-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-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 104598338
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598352
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (CID 104597783) is 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is JDUUAGVVKXTQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(10(15)16)6-2-3-7-14(12)11(17)13-8-9-4-5-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).