2-hydroxyiminohexanoic acid

C6H11NO3 — CID 6399040

IUPAC2-hydroxyiminohexanoic acid
SMILESCCCCC(=NO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9)
InChIKeyYNHDBHLHJZFURN-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.09
Rot. Bonds4

About 2-hydroxyiminohexanoic acid

2-hydroxyiminohexanoic acid (PubChem CID 6399040) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxyiminohexanoic acid.

Molecular Properties

Compound Name2-hydroxyiminohexanoic acid
PubChem CID6399040
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxyiminohexanoic acid
SMILESCCCCC(=NO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9)
InChIKeyYNHDBHLHJZFURN-UHFFFAOYSA-N
XLogP1.09
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hydroxyiminoheptanoic acid
CID 134822061
(2E)-5-amino-2-hydroxyiminopentanoic acid
CID 15030766
2-methoxyiminoheptanoic acid
CID 173316139
copper;2-oxohexanoic acid
CID 88811226
oxalic acid;pentane
CID 158926498
hex-2-ynyl 2-hydroxyiminohexanoate
CID 88725565
ethane;pentanoic acid
CID 142198531
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
pentanoic acid;stannane
CID 173249748
(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
CID 137128745

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminohexanoic acid?
The IUPAC name of 2-hydroxyiminohexanoic acid (CID 6399040) is 2-hydroxyiminohexanoic acid.
What is the SMILES notation for 2-hydroxyiminohexanoic acid?
The canonical SMILES for 2-hydroxyiminohexanoic acid is CCCCC(=NO)C(=O)O.
What is the InChIKey of 2-hydroxyiminohexanoic acid?
The InChIKey is YNHDBHLHJZFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-hydroxyiminohexanoic acid?
2-hydroxyiminohexanoic acid has a molecular weight of 145.16 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminohexanoic acid is sourced from PubChem (CID 6399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).