1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid

C14H24N2O3 — CID 115867406

IUPAC1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCC2N)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-6-7-16(12(8-9)14(18)19)13(17)10-4-2-3-5-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeyYLWDHPPMIJXNKT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid

1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 115867406) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID115867406
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCC2N)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-6-7-16(12(8-9)14(18)19)13(17)10-4-2-3-5-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeyYLWDHPPMIJXNKT-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminocyclohexanecarbonyl)-4-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

1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114424736
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
CID 114422001
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid (CID 115867406) is 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)C2CCCCC2N)C(C(=O)O)C1.
What is the InChIKey of 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is YLWDHPPMIJXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-6-7-16(12(8-9)14(18)19)13(17)10-4-2-3-5-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19).
What are the key properties of 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 115867406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).