1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid

C13H24N2O3 — CID 54954740

IUPAC1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-10(9(2)3)14-13(18)15-8-6-5-7-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYBDUEGCWDXWFBB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid

1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 54954740) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID54954740
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-4-10(9(2)3)14-13(18)15-8-6-5-7-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYBDUEGCWDXWFBB-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpentan-3-ylcarbamoyl)piperidine-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

(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-(1-cyclohexylethylcarbamoyl)azepane-2-carboxylic acid
CID 64563711
(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106232078
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]azepane-2-carboxylic acid
CID 103112488
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid (CID 54954740) is 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid is CCC(NC(=O)N1CCCCC1C(=O)O)C(C)C.
What is the InChIKey of 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is YBDUEGCWDXWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(9(2)3)14-13(18)15-8-6-5-7-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54954740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).