5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid

C10H19NO4 — CID 114900260

IUPAC5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid
SMILESCNC(=O)C(C)(CCC(C)(C)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,15)5-6-10(3,8(13)14)7(12)11-4/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyZMZCPHZKPXGJRK-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds5

About 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid

5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid (PubChem CID 114900260) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid
PubChem CID114900260
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid
SMILESCNC(=O)C(C)(CCC(C)(C)O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,15)5-6-10(3,8(13)14)7(12)11-4/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyZMZCPHZKPXGJRK-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114899987
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096
2-methyl-2-(methylcarbamoyl)-4-propylsulfonylbutanoic acid
CID 106736029
5-hydroxy-2,2,5-trimethylhexanoic acid
CID 79425449
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
acetic acid;5,5,5-tribromo-2-methylpentan-2-ol
CID 71395814
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
benzene;2,2-bis(methylcarbamoyl)propanedioic acid;ethane
CID 160590490
2-hydroxy-N,2-dimethylbutanamide
CID 22213750
4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
CID 106993163
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The IUPAC name of 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid (CID 114900260) is 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid.
What is the SMILES notation for 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The canonical SMILES for 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid is CNC(=O)C(C)(CCC(C)(C)O)C(=O)O.
What is the InChIKey of 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The InChIKey is ZMZCPHZKPXGJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,15)5-6-10(3,8(13)14)7(12)11-4/h15H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid?
5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid is sourced from PubChem (CID 114900260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).