(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid

C8H13NO5 — CID 69349311

IUPAC(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
SMILESC[C@H]1C(O)C(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1
InChIKeyZZBJAGPVEYMKKU-KXGSVCODSA-N
MW203.19 g/mol
LogP-0.18
Rot. Bonds1

About (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid

(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid (PubChem CID 69349311) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
PubChem CID69349311
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
SMILESC[C@H]1C(O)C(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1
InChIKeyZZBJAGPVEYMKKU-KXGSVCODSA-N
XLogP-0.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic 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 (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The IUPAC name of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid (CID 69349311) is (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid is C[C@H]1C(O)C(C(=O)O)CCN1C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The InChIKey is ZZBJAGPVEYMKKU-KXGSVCODSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 69349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).