1-(3-methylbutanoyl)piperidine-3-carboxylic acid

C11H19NO3 — CID 16769536

IUPAC1-(3-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8(2)6-10(13)12-5-3-4-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyKXYNKCSURBGGRR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About 1-(3-methylbutanoyl)piperidine-3-carboxylic acid

1-(3-methylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 16769536) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutanoyl)piperidine-3-carboxylic acid
PubChem CID16769536
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8(2)6-10(13)12-5-3-4-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyKXYNKCSURBGGRR-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylbutanoyl)piperidine-3-carboxylic acid (CID 16769536) is 1-(3-methylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylbutanoyl)piperidine-3-carboxylic acid is CC(C)CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is KXYNKCSURBGGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)6-10(13)12-5-3-4-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
1-(3-methylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16769536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).