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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Related Compounds

sodium;butanedioic acid;hydride;2-hydroxyiminobutanedioic acid
CID 172995218
acetic acid;N-butan-2-ylidenehydroxylamine
CID 175319893
N-butan-2-ylidenehydroxylamine;carbonic acid
CID 87857804
2-hydroxyiminohexanoic acid
CID 6399040
2-hydroxyiminoheptanoic acid
CID 134822061
4-hydroxyimino-2-methylpentanoic acid
CID 151122937
(2E)-3-(diaminomethylideneamino)-2-hydroxyiminopropanoic acid
CID 118493104
(2E)-5-amino-2-hydroxyiminopentanoic acid
CID 15030766
(4E)-4-hydroxyimino-N-methylpentanamide
CID 55286829
(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134834887
(4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 57348575
(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 15030767

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).