2-methanimidoyl-4-methylpentanoic acid

C7H13NO2 — CID 54087915

IUPAC2-methanimidoyl-4-methylpentanoic acid
SMILES[H]/N=C/C(CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)3-6(4-8)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/b8-4+
InChIKeyMRUAVEYFTAENHF-XBXARRHUSA-N
MW143.19 g/mol
LogP1.38
Rot. Bonds4

About 2-methanimidoyl-4-methylpentanoic acid

2-methanimidoyl-4-methylpentanoic acid (PubChem CID 54087915) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methanimidoyl-4-methylpentanoic acid.

Molecular Properties

Compound Name2-methanimidoyl-4-methylpentanoic acid
PubChem CID54087915
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methanimidoyl-4-methylpentanoic acid
SMILES[H]/N=C/C(CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)3-6(4-8)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/b8-4+
InChIKeyMRUAVEYFTAENHF-XBXARRHUSA-N
XLogP1.38
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

4-Fluoro-2-methanimidoyl-3-methyliminopentanoic acid
CID 123344099
5,5-Difluoro-2-methanimidoyl-4,4-dimethylpentanoic acid
CID 167281625
5,5,5-Trifluoro-2-methanimidoylpentanoic acid
CID 174704124
2-Imino-4-methylpentanoic acid
CID 11427032
Methyl 5-imino-4-methylpentanoate
CID 17998012
3-Ethyl-2-methanimidoylpentanoic acid
CID 53650003
5-Iminopentanoic acid
CID 53745898
2-Methanimidoyl-3-methylbutanoic acid
CID 53822819
3-Methanimidoylpentanoic acid
CID 54057886
5-Imino-4-methylpentanoic acid
CID 54444861
2-Methanimidoylhexanoic acid
CID 54460602
3-Methanimidoyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56619789

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-methylpentanoic acid?
The IUPAC name of 2-methanimidoyl-4-methylpentanoic acid (CID 54087915) is 2-methanimidoyl-4-methylpentanoic acid.
What is the SMILES notation for 2-methanimidoyl-4-methylpentanoic acid?
The canonical SMILES for 2-methanimidoyl-4-methylpentanoic acid is [H]/N=C/C(CC(C)C)C(=O)O.
What is the InChIKey of 2-methanimidoyl-4-methylpentanoic acid?
The InChIKey is MRUAVEYFTAENHF-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)3-6(4-8)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/b8-4+.
What are the key properties of 2-methanimidoyl-4-methylpentanoic acid?
2-methanimidoyl-4-methylpentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-methylpentanoic acid is sourced from PubChem (CID 54087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).