3-imino-4-methylpentanoic acid

C6H11NO2 — CID 57286411

IUPAC3-imino-4-methylpentanoic acid
SMILES[H]/N=C(\CC(=O)O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)5(7)3-6(8)9/h4,7H,3H2,1-2H3,(H,8,9)/b7-5+
InChIKeyUHNCDNDULIANHY-FNORWQNLSA-N
MW129.16 g/mol
LogP1.14
Rot. Bonds3

About 3-imino-4-methylpentanoic acid

3-imino-4-methylpentanoic acid (PubChem CID 57286411) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-imino-4-methylpentanoic acid.

Molecular Properties

Compound Name3-imino-4-methylpentanoic acid
PubChem CID57286411
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-imino-4-methylpentanoic acid
SMILES[H]/N=C(\CC(=O)O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)5(7)3-6(8)9/h4,7H,3H2,1-2H3,(H,8,9)/b7-5+
InChIKeyUHNCDNDULIANHY-FNORWQNLSA-N
XLogP1.14
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.14
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

(2E)-2-(hydroxyimino)isocaproic acid
CID 22846589
2-Iminocyclopentane-1-carboxylic acid
CID 57162899
Dimethyliminodiacetic acid
CID 129651792
2-Imino-3-(trifluoromethyl)pentanoic acid
CID 174539872
5,5,5-Trifluoro-2-imino-4-methylpentanoic acid
CID 174735496
3-Fluoro-2-imino-4-methylpentanoic acid
CID 10396964
2-Imino-4-methylpentanoic acid
CID 11427032
(2Z)-2-hydroxyimino-4-methylpentanoic acid
CID 13521177
(2Z)-2-methoxyimino-4-methylpentanoic acid
CID 13908934
Methyl 2-imino-4-methylpentanoate
CID 16184520
4-Iminopentanoic acid
CID 19957986
2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid
CID 20537136

Frequently Asked Questions

What is the IUPAC name of 3-imino-4-methylpentanoic acid?
The IUPAC name of 3-imino-4-methylpentanoic acid (CID 57286411) is 3-imino-4-methylpentanoic acid.
What is the SMILES notation for 3-imino-4-methylpentanoic acid?
The canonical SMILES for 3-imino-4-methylpentanoic acid is [H]/N=C(\CC(=O)O)C(C)C.
What is the InChIKey of 3-imino-4-methylpentanoic acid?
The InChIKey is UHNCDNDULIANHY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(2)5(7)3-6(8)9/h4,7H,3H2,1-2H3,(H,8,9)/b7-5+.
What are the key properties of 3-imino-4-methylpentanoic acid?
3-imino-4-methylpentanoic acid has a molecular weight of 129.16 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-methylpentanoic acid is sourced from PubChem (CID 57286411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).