2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid

C12H15NO3 — CID 77013314

IUPAC2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid
SMILESCC(=NOCC(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C12H15NO3/c1-8-4-5-9(2)11(6-8)10(3)13-16-7-12(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyRSBXIBCCDCBHGQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.13
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid

2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid (PubChem CID 77013314) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid
PubChem CID77013314
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid
SMILESCC(=NOCC(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C12H15NO3/c1-8-4-5-9(2)11(6-8)10(3)13-16-7-12(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyRSBXIBCCDCBHGQ-UHFFFAOYSA-N
XLogP2.13
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]acetic acid
CID 61328943
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104
(E)-5-(2,5-dimethylphenyl)hex-4-enoic acid
CID 82079316
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
nitroso 2,5-dimethylbenzoate
CID 175399120
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid (CID 77013314) is 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid is CC(=NOCC(=O)O)c1cc(C)ccc1C.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid?
The InChIKey is RSBXIBCCDCBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-5-9(2)11(6-8)10(3)13-16-7-12(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid?
2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid has a molecular weight of 221.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid is sourced from PubChem (CID 77013314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).