2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid

C11H12N2O5 — CID 77013169

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
SMILESNC(=O)COc1ccc(C=NOCC(=O)O)cc1
InChIInChI=1S/C11H12N2O5/c12-10(14)6-17-9-3-1-8(2-4-9)5-13-18-7-11(15)16/h1-5H,6-7H2,(H2,12,14)(H,15,16)
InChIKeyWTDOOPRLTNWJRO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.01
Rot. Bonds7

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid

2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid (PubChem CID 77013169) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
PubChem CID77013169
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
SMILESNC(=O)COc1ccc(C=NOCC(=O)O)cc1
InChIInChI=1S/C11H12N2O5/c12-10(14)6-17-9-3-1-8(2-4-9)5-13-18-7-11(15)16/h1-5H,6-7H2,(H2,12,14)(H,15,16)
InChIKeyWTDOOPRLTNWJRO-UHFFFAOYSA-N
XLogP-0.01
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
2-[4-[[[2-(benzylideneamino)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5047309
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
CID 104823667
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 6064390
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid (CID 77013169) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid is NC(=O)COc1ccc(C=NOCC(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid?
The InChIKey is WTDOOPRLTNWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c12-10(14)6-17-9-3-1-8(2-4-9)5-13-18-7-11(15)16/h1-5H,6-7H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid?
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid has a molecular weight of 252.23 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).