(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid

C10H12N2O3 — CID 6414141

IUPAC(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid
SMILESCN(C)c1ccc(/C(=N\O)C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c1-12(2)8-5-3-7(4-6-8)9(11-15)10(13)14/h3-6,15H,1-2H3,(H,13,14)/b11-9+
InChIKeyOAUSXRPIWRCJBI-PKNBQFBNSA-N
MW208.22 g/mol
LogP1.02
Rot. Bonds3

About (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid

(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid (PubChem CID 6414141) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid
PubChem CID6414141
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid
SMILESCN(C)c1ccc(/C(=N\O)C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c1-12(2)8-5-3-7(4-6-8)9(11-15)10(13)14/h3-6,15H,1-2H3,(H,13,14)/b11-9+
InChIKeyOAUSXRPIWRCJBI-PKNBQFBNSA-N
XLogP1.02
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.02
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

CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
3-[4-(dimethylamino)phenyl]-2,3-difluoroprop-2-enoic acid
CID 71401166
4-[4-(dimethylamino)phenyl]-2,4-dioxobutanoic acid
CID 23090325
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
CID 174923896
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid?
The IUPAC name of (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid (CID 6414141) is (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid.
What is the SMILES notation for (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid?
The canonical SMILES for (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid is CN(C)c1ccc(/C(=N\O)C(=O)O)cc1.
What is the InChIKey of (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid?
The InChIKey is OAUSXRPIWRCJBI-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12(2)8-5-3-7(4-6-8)9(11-15)10(13)14/h3-6,15H,1-2H3,(H,13,14)/b11-9+.
What are the key properties of (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid?
(2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid has a molecular weight of 208.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[4-(dimethylamino)phenyl]-2-hydroxyiminoacetic acid is sourced from PubChem (CID 6414141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).