4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid

C8H13NO5 — CID 170171789

IUPAC4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid
SMILESCC1CN(C(=O)O)CCC1(O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5-4-9(7(12)13)3-2-8(5,14)6(10)11/h5,14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyASELESFKNAHSIP-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.18
Rot. Bonds1

About 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid

4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid (PubChem CID 170171789) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid
PubChem CID170171789
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid
SMILESCC1CN(C(=O)O)CCC1(O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5-4-9(7(12)13)3-2-8(5,14)6(10)11/h5,14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyASELESFKNAHSIP-UHFFFAOYSA-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 4-hydroxy-3-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

Related Compounds

4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
3,4-dimethyl-1,4-diazepane-1-carboxylic acid
CID 115102304
(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146500878
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid (CID 170171789) is 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid is CC1CN(C(=O)O)CCC1(O)C(=O)O.
What is the InChIKey of 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid?
The InChIKey is ASELESFKNAHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5-4-9(7(12)13)3-2-8(5,14)6(10)11/h5,14H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid?
4-hydroxy-3-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 4-hydroxy-3-methylpiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 170171789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).