(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid

C9H15NO3 — CID 59778322

IUPAC(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
SMILESCC(=O)[C@H]1C[C@@H](C(=O)O)CN(C)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-8(9(12)13)5-10(2)4-7/h7-8H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyMZXBYTUIPOPPQV-JGVFFNPUSA-N
MW185.22 g/mol
LogP0.23
Rot. Bonds2

About (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid

(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid (PubChem CID 59778322) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
PubChem CID59778322
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
SMILESCC(=O)[C@H]1C[C@@H](C(=O)O)CN(C)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-8(9(12)13)5-10(2)4-7/h7-8H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyMZXBYTUIPOPPQV-JGVFFNPUSA-N
XLogP0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-acetyl-1-methylpiperidine-3-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

lithium;5-benzyl-1-methylpiperidine-3-carboxylic acid;1-(5-benzyl-1-methylpiperidin-3-yl)ethanone;hydroxide
CID 159845430
3-acetyl-5-hydroxycyclohexane-1-carboxylic acid
CID 89200827
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 115028344
5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83989066
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-(4-hydroxy-1-methylpyrrolidin-3-yl)ethanone
CID 59878538
5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid
CID 91054882
1-acetyl-5-aminopiperidine-3-carboxylic acid
CID 83989133
1-methyl-1,4-diazepane-6-carboxylic acid
CID 23090475

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid (CID 59778322) is (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid is CC(=O)[C@H]1C[C@@H](C(=O)O)CN(C)C1.
What is the InChIKey of (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid?
The InChIKey is MZXBYTUIPOPPQV-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)7-3-8(9(12)13)5-10(2)4-7/h7-8H,3-5H2,1-2H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid?
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 59778322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).