2-methyl-3-methyliminopentanoic acid

C7H13NO2 — CID 57232250

IUPAC2-methyl-3-methyliminopentanoic acid
SMILESCC/C(=N\C)C(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-6(8-3)5(2)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyJYCJRGYOBYUQTD-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-3-methyliminopentanoic acid

2-methyl-3-methyliminopentanoic acid (PubChem CID 57232250) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methyl-3-methyliminopentanoic acid.

Molecular Properties

Compound Name2-methyl-3-methyliminopentanoic acid
PubChem CID57232250
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methyl-3-methyliminopentanoic acid
SMILESCC/C(=N\C)C(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-6(8-3)5(2)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyJYCJRGYOBYUQTD-SOFGYWHQSA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(hydroxyimino)isocaproic acid
CID 22846589
2,2-Difluoro-4-methyl-3-propan-2-yliminopentanoic acid
CID 166047489
2-Imino-4-methylpentanoic acid
CID 11427032
(2Z)-2-hydroxyimino-4-methylpentanoic acid
CID 13521177
(2Z)-2-methoxyimino-4-methylpentanoic acid
CID 13908934
4-Ethyliminopentanoic acid
CID 20666902
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
2-(N-butyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175620
2,2,3,3-Tetramethyl-4-methyliminopentanoic acid
CID 54297920
3-Butylimino-2-ethylpentanoic acid
CID 57031173
3-Imino-2-methylpentanoic acid
CID 57075801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methyliminopentanoic acid?
The IUPAC name of 2-methyl-3-methyliminopentanoic acid (CID 57232250) is 2-methyl-3-methyliminopentanoic acid.
What is the SMILES notation for 2-methyl-3-methyliminopentanoic acid?
The canonical SMILES for 2-methyl-3-methyliminopentanoic acid is CC/C(=N\C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-methyliminopentanoic acid?
The InChIKey is JYCJRGYOBYUQTD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(8-3)5(2)7(9)10/h5H,4H2,1-3H3,(H,9,10)/b8-6+.
What are the key properties of 2-methyl-3-methyliminopentanoic acid?
2-methyl-3-methyliminopentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminopentanoic acid is sourced from PubChem (CID 57232250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).