2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid

C10H19NO3 — CID 107889835

IUPAC2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
SMILESCCCC(C)C(C)(C(=O)O)C(=O)NC
InChIInChI=1S/C10H19NO3/c1-5-6-7(2)10(3,9(13)14)8(12)11-4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFPFBVSIKPWZZJH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds5

About 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid

2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid (PubChem CID 107889835) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
PubChem CID107889835
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
SMILESCCCC(C)C(C)(C(=O)O)C(=O)NC
InChIInChI=1S/C10H19NO3/c1-5-6-7(2)10(3,9(13)14)8(12)11-4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFPFBVSIKPWZZJH-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
CID 174967737
2,3-dimethyl-2-(methylcarbamoyl)pent-4-enoic acid
CID 114900087
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495
2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid
CID 87855607
(3-amino-4-methylheptan-3-yl)carbamic acid
CID 87603928
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2,3-dimethyl-2-propan-2-ylhexanamide
CID 56985288

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The IUPAC name of 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid (CID 107889835) is 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid is CCCC(C)C(C)(C(=O)O)C(=O)NC.
What is the InChIKey of 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid?
The InChIKey is FPFBVSIKPWZZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-7(2)10(3,9(13)14)8(12)11-4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid?
2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid is sourced from PubChem (CID 107889835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).