2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid

C10H8N2O3 — CID 107936789

IUPAC2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
SMILESN#Cc1ccccc1/C=N/OCC(=O)O
InChIInChI=1S/C10H8N2O3/c11-5-8-3-1-2-4-9(8)6-12-15-7-10(13)14/h1-4,6H,7H2,(H,13,14)/b12-6+
InChIKeyAPVSSRVBAMSDPX-WUXMJOGZSA-N
MW204.18 g/mol
LogP0.99
Rot. Bonds4

About 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid

2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid (PubChem CID 107936789) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
PubChem CID107936789
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
SMILESN#Cc1ccccc1/C=N/OCC(=O)O
InChIInChI=1S/C10H8N2O3/c11-5-8-3-1-2-4-9(8)6-12-15-7-10(13)14/h1-4,6H,7H2,(H,13,14)/b12-6+
InChIKeyAPVSSRVBAMSDPX-WUXMJOGZSA-N
XLogP0.99
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
CID 67428340
2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid
CID 77013172
(E)-2-cyano-3-(2-cyanophenyl)prop-2-enoic acid
CID 21409811
1,3-bis[(E)-(2-cyanophenyl)methylideneamino]thiourea
CID 131998213
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
CID 139059157
2-[(E)-[2,3-bis[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453391
tert-butyl 2-[(E)-(2-phenoxyphenyl)methylideneamino]oxyethaneperoxoate
CID 10545313
2-[(2-phenyltriazol-4-yl)methylideneamino]oxyacetic acid
CID 77013475

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid (CID 107936789) is 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid is N#Cc1ccccc1/C=N/OCC(=O)O.
What is the InChIKey of 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid?
The InChIKey is APVSSRVBAMSDPX-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-5-8-3-1-2-4-9(8)6-12-15-7-10(13)14/h1-4,6H,7H2,(H,13,14)/b12-6+.
What are the key properties of 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid?
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid has a molecular weight of 204.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 107936789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).