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

C8H13NO5 — CID 174806743

IUPAC4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCC1O
InChIInChI=1S/C8H13NO5/c1-8(6(11)12)4-9(7(13)14)3-2-5(8)10/h5,10H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeySKUKDSYYYZNJCY-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.18
Rot. Bonds1

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

4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid (PubChem CID 174806743) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
PubChem CID174806743
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCC1O
InChIInChI=1S/C8H13NO5/c1-8(6(11)12)4-9(7(13)14)3-2-5(8)10/h5,10H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeySKUKDSYYYZNJCY-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

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Related Compounds

4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid
CID 91142406
4-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1,3-dicarboxylic acid
CID 123227827
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-O-tert-butyl 3-O-methyl (3R)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylate
CID 170959152
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
2-methylpiperazine-1,2,4-tricarboxylic acid
CID 90766935
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
4-acetylpiperidine-1-carboxylic acid
CID 22135578
(1S,6S)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 155660525
(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 66757227

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid (CID 174806743) is 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid is CC1(C(=O)O)CN(C(=O)O)CCC1O.
What is the InChIKey of 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
The InChIKey is SKUKDSYYYZNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(6(11)12)4-9(7(13)14)3-2-5(8)10/h5,10H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid?
4-hydroxy-3-methylpiperidine-1,3-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-1,3-dicarboxylic acid is sourced from PubChem (CID 174806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).