2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid

C13H24N2O3 — CID 104597770

IUPAC2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-12(2,3)14-11(18)15-9-7-6-8-13(15,4)10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWLEWDRVVTBNQCX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid

2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 104597770) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID104597770
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-12(2,3)14-11(18)15-9-7-6-8-13(15,4)10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWLEWDRVVTBNQCX-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid (CID 104597770) is 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid is CCC(C)(C)NC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is WLEWDRVVTBNQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-12(2,3)14-11(18)15-9-7-6-8-13(15,4)10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 256.35 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 2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104597770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).