2-(naphthalen-1-ylmethylideneamino)oxyacetic acid

C13H11NO3 — CID 78953890

IUPAC2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-13(16)9-17-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H,15,16)
InChIKeyZDAWWQLDXIMNNW-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.27
Rot. Bonds4

About 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid

2-(naphthalen-1-ylmethylideneamino)oxyacetic acid (PubChem CID 78953890) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
PubChem CID78953890
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-13(16)9-17-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H,15,16)
InChIKeyZDAWWQLDXIMNNW-UHFFFAOYSA-N
XLogP2.27
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.27
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

2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789
(E)-1-naphthalen-1-yl-N-[6-[(E)-naphthalen-1-ylmethylideneamino]oxyhexoxy]methanimine
CID 139075041
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[(E)-[2,3-bis[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453391
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
2-[[2-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91032678
2-[(E)-[2,3-bis[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453392
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid?
The IUPAC name of 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid (CID 78953890) is 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid is O=C(O)CON=Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid?
The InChIKey is ZDAWWQLDXIMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)9-17-14-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H,15,16).
What are the key properties of 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid?
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid has a molecular weight of 229.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylideneamino)oxyacetic acid is sourced from PubChem (CID 78953890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).