(2S)-1-acetylpiperidine-2-carboxylic acid

C8H13NO3 — CID 5287692

IUPAC(2S)-1-acetylpiperidine-2-carboxylic acid
SMILESCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyJACZWLDAHFCGCC-ZETCQYMHSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds1

About (2S)-1-acetylpiperidine-2-carboxylic acid

(2S)-1-acetylpiperidine-2-carboxylic acid (PubChem CID 5287692) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-1-acetylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetylpiperidine-2-carboxylic acid
PubChem CID5287692
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-1-acetylpiperidine-2-carboxylic acid
SMILESCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyJACZWLDAHFCGCC-ZETCQYMHSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-acetylpiperidine-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

Homostachydrine
CID 441447
1-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 581831
(2R)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 688618
(2S)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
CID 44320454
(2R)-1-methylpiperidine-2-carboxylic acid
CID 11286529
1-Methylpiperidine-2-carboxylic acid
CID 415939
1,6-dimethylpiperidine-2-carboxylic Acid
CID 4457948
(2S)-1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid
CID 688617
1-Acetylpiperidine-2-carboxylic acid
CID 4472712
(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
CID 93518314
HBOA trihexose
CID 4479243
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 13208342

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetylpiperidine-2-carboxylic acid (CID 5287692) is (2S)-1-acetylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetylpiperidine-2-carboxylic acid is CC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-acetylpiperidine-2-carboxylic acid?
The InChIKey is JACZWLDAHFCGCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-1-acetylpiperidine-2-carboxylic acid?
(2S)-1-acetylpiperidine-2-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetylpiperidine-2-carboxylic acid is sourced from PubChem (CID 5287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).