2,4-diimino-3-methylpentanoic acid

C6H10N2O2 — CID 123617911

IUPAC2,4-diimino-3-methylpentanoic acid
SMILES[H]/N=C(\C(=O)O)C(C)/C(C)=N/[H]
InChIInChI=1S/C6H10N2O2/c1-3(4(2)7)5(8)6(9)10/h3,7-8H,1-2H3,(H,9,10)/b7-4+,8-5-
InChIKeyJEGGXXSTZJWDFE-NIQPXEJBSA-N
MW142.16 g/mol
LogP0.77
Rot. Bonds3

About 2,4-diimino-3-methylpentanoic acid

2,4-diimino-3-methylpentanoic acid (PubChem CID 123617911) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2,4-diimino-3-methylpentanoic acid.

Molecular Properties

Compound Name2,4-diimino-3-methylpentanoic acid
PubChem CID123617911
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2,4-diimino-3-methylpentanoic acid
SMILES[H]/N=C(\C(=O)O)C(C)/C(C)=N/[H]
InChIInChI=1S/C6H10N2O2/c1-3(4(2)7)5(8)6(9)10/h3,7-8H,1-2H3,(H,9,10)/b7-4+,8-5-
InChIKeyJEGGXXSTZJWDFE-NIQPXEJBSA-N
XLogP0.77
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,4-diimino-3-methylpentanoic acid?
The IUPAC name of 2,4-diimino-3-methylpentanoic acid (CID 123617911) is 2,4-diimino-3-methylpentanoic acid.
What is the SMILES notation for 2,4-diimino-3-methylpentanoic acid?
The canonical SMILES for 2,4-diimino-3-methylpentanoic acid is [H]/N=C(\C(=O)O)C(C)/C(C)=N/[H].
What is the InChIKey of 2,4-diimino-3-methylpentanoic acid?
The InChIKey is JEGGXXSTZJWDFE-NIQPXEJBSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3(4(2)7)5(8)6(9)10/h3,7-8H,1-2H3,(H,9,10)/b7-4+,8-5-.
What are the key properties of 2,4-diimino-3-methylpentanoic acid?
2,4-diimino-3-methylpentanoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diimino-3-methylpentanoic acid is sourced from PubChem (CID 123617911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).