2-hydroxyiminoheptanoic acid

C7H13NO3 — CID 134822061

IUPAC2-hydroxyiminoheptanoic acid
SMILESCCCCCC(=NO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-6(8-11)7(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyNKPMAGIAIQUOQH-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.48
Rot. Bonds5

About 2-hydroxyiminoheptanoic acid

2-hydroxyiminoheptanoic acid (PubChem CID 134822061) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-hydroxyiminoheptanoic acid.

Molecular Properties

Compound Name2-hydroxyiminoheptanoic acid
PubChem CID134822061
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-hydroxyiminoheptanoic acid
SMILESCCCCCC(=NO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-5-6(8-11)7(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyNKPMAGIAIQUOQH-UHFFFAOYSA-N
XLogP1.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyiminohexanoic acid
CID 6399040
2-methoxyiminoheptanoic acid
CID 173316139
(2E)-5-amino-2-hydroxyiminopentanoic acid
CID 15030766
(NZ)-N-[(2E)-2-hydroxyiminodecan-3-ylidene]hydroxylamine
CID 135992390
(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
CID 137128745
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
icosane;oxalic acid
CID 175691290
carbonic acid;bis(hexane)
CID 173367789
2-hydroxyimino-1-phenylhexan-1-one
CID 71332647
octadecanoic acid
CID 157075632

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminoheptanoic acid?
The IUPAC name of 2-hydroxyiminoheptanoic acid (CID 134822061) is 2-hydroxyiminoheptanoic acid.
What is the SMILES notation for 2-hydroxyiminoheptanoic acid?
The canonical SMILES for 2-hydroxyiminoheptanoic acid is CCCCCC(=NO)C(=O)O.
What is the InChIKey of 2-hydroxyiminoheptanoic acid?
The InChIKey is NKPMAGIAIQUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-4-5-6(8-11)7(9)10/h11H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-hydroxyiminoheptanoic acid?
2-hydroxyiminoheptanoic acid has a molecular weight of 159.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoheptanoic acid is sourced from PubChem (CID 134822061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).