(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid

C12H17N3O2 — CID 7224032

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYCSSRSNBRMYUKP-JTQLQIEISA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds2

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid

(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 7224032) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID7224032
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYCSSRSNBRMYUKP-JTQLQIEISA-N
XLogP1.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 7224032) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid is Cc1cc(C)nc(N2CCC[C@H](C(=O)O)C2)n1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is YCSSRSNBRMYUKP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 7224032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).