(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid

C7H13NO3 — CID 15643990

IUPAC(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
SMILESC[C@@H]1[C@H](O)CCN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-5(9)2-3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m1/s1
InChIKeyCXCLYVIJLYLCSF-PBXRRBTRSA-N
MW159.18 g/mol
LogP-0.57
Rot. Bonds1

About (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid

(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid (PubChem CID 15643990) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
PubChem CID15643990
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
SMILESC[C@@H]1[C@H](O)CCN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-5(9)2-3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m1/s1
InChIKeyCXCLYVIJLYLCSF-PBXRRBTRSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S,4R)-4-hydroxy-3-methylpiperidine-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

ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
1-[(2S)-3-hydroxypyrrolidin-2-yl]ethanone
CID 89382043
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
CID 166119609
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid (CID 15643990) is (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid is C[C@@H]1[C@H](O)CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid?
The InChIKey is CXCLYVIJLYLCSF-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-5(9)2-3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m1/s1.
What are the key properties of (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid?
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 15643990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).