1-acetyl-5-methylpiperidine-2-carboxylic acid

C9H15NO3 — CID 19065915

IUPAC1-acetyl-5-methylpiperidine-2-carboxylic acid
SMILESCC(=O)N1CC(C)CCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6-3-4-8(9(12)13)10(5-6)7(2)11/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCVTOZPSGTYCUBU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds1

About 1-acetyl-5-methylpiperidine-2-carboxylic acid

1-acetyl-5-methylpiperidine-2-carboxylic acid (PubChem CID 19065915) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-acetyl-5-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-5-methylpiperidine-2-carboxylic acid
PubChem CID19065915
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-acetyl-5-methylpiperidine-2-carboxylic acid
SMILESCC(=O)N1CC(C)CCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6-3-4-8(9(12)13)10(5-6)7(2)11/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCVTOZPSGTYCUBU-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-2-carboxylic acid
CID 4472712
(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
CID 93518314
1-Acetyl-2-carboxypiperidine
CID 5287692
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 13208342
1-Ethylpiperidine-2-carboxylic acid
CID 22016545
1-Butanoylpiperidine-2-carboxylic acid
CID 20119283
1-[(Tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
CID 69619394
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
1-((Tert-butoxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 14482388
1-((Tert-butoxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 14482389
1-(3-Methylbutanoyl)piperidine-2-carboxylic acid
CID 16228207
1-Methyl-6-oxopiperidine-2-carboxylic acid
CID 53857154

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-acetyl-5-methylpiperidine-2-carboxylic acid (CID 19065915) is 1-acetyl-5-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-5-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-acetyl-5-methylpiperidine-2-carboxylic acid is CC(=O)N1CC(C)CCC1C(=O)O.
What is the InChIKey of 1-acetyl-5-methylpiperidine-2-carboxylic acid?
The InChIKey is CVTOZPSGTYCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-3-4-8(9(12)13)10(5-6)7(2)11/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-acetyl-5-methylpiperidine-2-carboxylic acid?
1-acetyl-5-methylpiperidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 19065915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).