6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid

C10H19NO4 — CID 114900096

IUPAC6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
SMILESCNC(=O)C(C)(CCCCOC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(9(13)14,8(12)11-2)6-4-5-7-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOXRIBGJPOUNCJN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds7

About 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid

6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid (PubChem CID 114900096) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid.

Molecular Properties

Compound Name6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
PubChem CID114900096
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
SMILESCNC(=O)C(C)(CCCCOC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(9(13)14,8(12)11-2)6-4-5-7-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOXRIBGJPOUNCJN-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114899987
5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900260
4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
CID 106993163
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863
13-fluoro-2-methoxycarbonyl-2-methyltridecanoic acid
CID 87187225
2-methyl-2-(methylcarbamoyl)-4-propylsulfonylbutanoic acid
CID 106736029
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
6-(3-methoxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714500
N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid?
The IUPAC name of 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid (CID 114900096) is 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid.
What is the SMILES notation for 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid?
The canonical SMILES for 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid is CNC(=O)C(C)(CCCCOC)C(=O)O.
What is the InChIKey of 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid?
The InChIKey is OXRIBGJPOUNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(9(13)14,8(12)11-2)6-4-5-7-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid?
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid is sourced from PubChem (CID 114900096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).