2-methanimidoyl-3,3-dimethylbutanoic acid

C7H13NO2 — CID 91176242

IUPAC2-methanimidoyl-3,3-dimethylbutanoic acid
SMILES[H]/N=C/C(C(=O)O)C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-7(2,3)5(4-8)6(9)10/h4-5,8H,1-3H3,(H,9,10)/b8-4+
InChIKeyBEOQORSPENDQME-XBXARRHUSA-N
MW143.19 g/mol
LogP1.38
Rot. Bonds2

About 2-methanimidoyl-3,3-dimethylbutanoic acid

2-methanimidoyl-3,3-dimethylbutanoic acid (PubChem CID 91176242) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methanimidoyl-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-methanimidoyl-3,3-dimethylbutanoic acid
PubChem CID91176242
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methanimidoyl-3,3-dimethylbutanoic acid
SMILES[H]/N=C/C(C(=O)O)C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-7(2,3)5(4-8)6(9)10/h4-5,8H,1-3H3,(H,9,10)/b8-4+
InChIKeyBEOQORSPENDQME-XBXARRHUSA-N
XLogP1.38
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-3,3-dimethylbutanoic acid?
The IUPAC name of 2-methanimidoyl-3,3-dimethylbutanoic acid (CID 91176242) is 2-methanimidoyl-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-methanimidoyl-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-methanimidoyl-3,3-dimethylbutanoic acid is [H]/N=C/C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-methanimidoyl-3,3-dimethylbutanoic acid?
The InChIKey is BEOQORSPENDQME-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)5(4-8)6(9)10/h4-5,8H,1-3H3,(H,9,10)/b8-4+.
What are the key properties of 2-methanimidoyl-3,3-dimethylbutanoic acid?
2-methanimidoyl-3,3-dimethylbutanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-3,3-dimethylbutanoic acid is sourced from PubChem (CID 91176242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).