(2E)-2-propoxyiminoacetic acid

C5H9NO3 — CID 14307550

IUPAC(2E)-2-propoxyiminoacetic acid
SMILESCCCO/N=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-2-3-9-6-4-5(7)8/h4H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyWQLZQPOUWJCCCM-GQCTYLIASA-N
MW131.13 g/mol
LogP0.48
Rot. Bonds4

About (2E)-2-propoxyiminoacetic acid

(2E)-2-propoxyiminoacetic acid (PubChem CID 14307550) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2E)-2-propoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-propoxyiminoacetic acid
PubChem CID14307550
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2E)-2-propoxyiminoacetic acid
SMILESCCCO/N=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-2-3-9-6-4-5(7)8/h4H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyWQLZQPOUWJCCCM-GQCTYLIASA-N
XLogP0.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxyimino)acetic acid
CID 11457668
2-Oxoacetic acid, ethyl ester, oxime
CID 9601339
Ethyl 2-(hydroxyimino)acetate
CID 44135564
Acetic acid, (ethoxyimino)-, ethyl ester
CID 53419141
2-Methoxyiminoacetic acid
CID 54073784
2-Propan-2-yloxyiminoacetic acid
CID 56634261
(2E)-2-(2-fluoroethoxyimino)acetic acid
CID 14307567
2-(2-Fluoroethoxyimino)acetic acid
CID 53808017
2-(1-Fluoroethoxyimino)acetic acid
CID 173404586
ethyl (2Z)-2-hydroxyiminoacetate
CID 6399379
Methoxyiminoacetic acid ethyl ester
CID 12802276
ethyl (2Z)-2-methoxyiminoacetate
CID 12802277

Frequently Asked Questions

What is the IUPAC name of (2E)-2-propoxyiminoacetic acid?
The IUPAC name of (2E)-2-propoxyiminoacetic acid (CID 14307550) is (2E)-2-propoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-propoxyiminoacetic acid?
The canonical SMILES for (2E)-2-propoxyiminoacetic acid is CCCO/N=C/C(=O)O.
What is the InChIKey of (2E)-2-propoxyiminoacetic acid?
The InChIKey is WQLZQPOUWJCCCM-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-3-9-6-4-5(7)8/h4H,2-3H2,1H3,(H,7,8)/b6-4+.
What are the key properties of (2E)-2-propoxyiminoacetic acid?
(2E)-2-propoxyiminoacetic acid has a molecular weight of 131.13 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-propoxyiminoacetic acid is sourced from PubChem (CID 14307550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).