2,4-bis(hydroxyimino)pentanoic acid

C5H8N2O4 — CID 87969203

IUPAC2,4-bis(hydroxyimino)pentanoic acid
SMILESCC(CC(=NO)C(=O)O)=NO
InChIInChI=1S/C5H8N2O4/c1-3(6-10)2-4(7-11)5(8)9/h10-11H,2H2,1H3,(H,8,9)
InChIKeySOLUSRDYTKHUPT-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.14
Rot. Bonds3

About 2,4-bis(hydroxyimino)pentanoic acid

2,4-bis(hydroxyimino)pentanoic acid (PubChem CID 87969203) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2,4-bis(hydroxyimino)pentanoic acid.

Molecular Properties

Compound Name2,4-bis(hydroxyimino)pentanoic acid
PubChem CID87969203
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2,4-bis(hydroxyimino)pentanoic acid
SMILESCC(CC(=NO)C(=O)O)=NO
InChIInChI=1S/C5H8N2O4/c1-3(6-10)2-4(7-11)5(8)9/h10-11H,2H2,1H3,(H,8,9)
InChIKeySOLUSRDYTKHUPT-UHFFFAOYSA-N
XLogP0.14
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxyimino)pentanoic acid?
The IUPAC name of 2,4-bis(hydroxyimino)pentanoic acid (CID 87969203) is 2,4-bis(hydroxyimino)pentanoic acid.
What is the SMILES notation for 2,4-bis(hydroxyimino)pentanoic acid?
The canonical SMILES for 2,4-bis(hydroxyimino)pentanoic acid is CC(CC(=NO)C(=O)O)=NO.
What is the InChIKey of 2,4-bis(hydroxyimino)pentanoic acid?
The InChIKey is SOLUSRDYTKHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-3(6-10)2-4(7-11)5(8)9/h10-11H,2H2,1H3,(H,8,9).
What are the key properties of 2,4-bis(hydroxyimino)pentanoic acid?
2,4-bis(hydroxyimino)pentanoic acid has a molecular weight of 160.13 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxyimino)pentanoic acid is sourced from PubChem (CID 87969203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).