5-imino-3-methanimidoylpentanoic acid

C6H10N2O2 — CID 167024735

IUPAC5-imino-3-methanimidoylpentanoic acid
SMILES[H]/N=C\CC(/C=N/[H])CC(=O)O
InChIInChI=1S/C6H10N2O2/c7-2-1-5(4-8)3-6(9)10/h2,4-5,7-8H,1,3H2,(H,9,10)/b7-2-,8-4+
InChIKeyJLZWVIINOUJJST-GQOUTJHLSA-N
MW142.16 g/mol
LogP0.77
Rot. Bonds5

About 5-imino-3-methanimidoylpentanoic acid

5-imino-3-methanimidoylpentanoic acid (PubChem CID 167024735) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-imino-3-methanimidoylpentanoic acid.

Molecular Properties

Compound Name5-imino-3-methanimidoylpentanoic acid
PubChem CID167024735
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-imino-3-methanimidoylpentanoic acid
SMILES[H]/N=C\CC(/C=N/[H])CC(=O)O
InChIInChI=1S/C6H10N2O2/c7-2-1-5(4-8)3-6(9)10/h2,4-5,7-8H,1,3H2,(H,9,10)/b7-2-,8-4+
InChIKeyJLZWVIINOUJJST-GQOUTJHLSA-N
XLogP0.77
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 5-imino-3-methanimidoylpentanoic acid?
The IUPAC name of 5-imino-3-methanimidoylpentanoic acid (CID 167024735) is 5-imino-3-methanimidoylpentanoic acid.
What is the SMILES notation for 5-imino-3-methanimidoylpentanoic acid?
The canonical SMILES for 5-imino-3-methanimidoylpentanoic acid is [H]/N=C\CC(/C=N/[H])CC(=O)O.
What is the InChIKey of 5-imino-3-methanimidoylpentanoic acid?
The InChIKey is JLZWVIINOUJJST-GQOUTJHLSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-2-1-5(4-8)3-6(9)10/h2,4-5,7-8H,1,3H2,(H,9,10)/b7-2-,8-4+.
What are the key properties of 5-imino-3-methanimidoylpentanoic acid?
5-imino-3-methanimidoylpentanoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3-methanimidoylpentanoic acid is sourced from PubChem (CID 167024735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).