4-(Hydroxyimino)pentanoic acid

C5H9NO3 — CID 81373

IUPAC4-hydroxyiminopentanoic acid
SMILESCC(=NO)CCC(=O)O
InChIInChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)
InChIKeyAESJFNDOKWHJAH-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.40
Rot. Bonds3

About 4-(Hydroxyimino)pentanoic acid

4-(Hydroxyimino)pentanoic acid (PubChem CID 81373) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name4-(Hydroxyimino)pentanoic acid
PubChem CID81373
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-hydroxyiminopentanoic acid
SMILESCC(=NO)CCC(=O)O
InChIInChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)
InChIKeyAESJFNDOKWHJAH-UHFFFAOYSA-N
XLogP-0.40
TPSA69.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Levulinic acid, oxime, ethyl ester
CID 9561178
4-(Hydroxyimino)valeric acid
CID 5354662
Hexanoic acid, 2-(hydroxyimino)-
CID 6399040
5-Ketohexanoic acid oxime
CID 9578309
(2E)-2-(hydroxyimino)isocaproic acid
CID 22846589
(4Z)-4-hydroxyiminopentanoic acid
CID 5483495
(2E)-2-(Hydroxyimino)hexanoic acid
CID 6399381
(2Z)-2-hydroxyiminohexanoic acid
CID 6413079
Butanoic acid, 2-(hydroxyimino)-
CID 6844451
2-Hydroxyiminopentanoic acid
CID 73183763
Acetoacetic acid oxime
CID 76218883
3-(Methoxyimino) butanoic acid
CID 129751618

Frequently Asked Questions

What is the IUPAC name of 4-(Hydroxyimino)pentanoic acid?
The IUPAC name of 4-(Hydroxyimino)pentanoic acid (CID 81373) is 4-hydroxyiminopentanoic acid.
What is the SMILES notation for 4-(Hydroxyimino)pentanoic acid?
The canonical SMILES for 4-(Hydroxyimino)pentanoic acid is CC(=NO)CCC(=O)O.
What is the InChIKey of 4-(Hydroxyimino)pentanoic acid?
The InChIKey is AESJFNDOKWHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-(Hydroxyimino)pentanoic acid?
4-(Hydroxyimino)pentanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Hydroxyimino)pentanoic acid is sourced from PubChem (CID 81373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).