2-(4-methoxyphenyl)iminoacetate

C9H8NO3- — CID 22600240

IUPAC2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/p-1/b10-6+
InChIKeyCPFYJYOLNUAAGT-UXBLZVDNSA-M
MW178.17 g/mol
LogP0.15
Rot. Bonds3

About 2-(4-methoxyphenyl)iminoacetate

2-(4-methoxyphenyl)iminoacetate (PubChem CID 22600240) has the molecular formula C9H8NO3- and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)iminoacetate
PubChem CID22600240
Molecular FormulaC9H8NO3-
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/p-1/b10-6+
InChIKeyCPFYJYOLNUAAGT-UXBLZVDNSA-M
XLogP0.15
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614
thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
CID 175095039
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
CID 135907083
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
ethyl (E)-4,4,5,5,6,6,6-heptafluoro-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]hex-2-enoate
CID 137211307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of 2-(4-methoxyphenyl)iminoacetate (CID 22600240) is 2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for 2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for 2-(4-methoxyphenyl)iminoacetate is COc1ccc(/N=C/C(=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)iminoacetate?
The InChIKey is CPFYJYOLNUAAGT-UXBLZVDNSA-M. The full InChI is InChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/p-1/b10-6+.
What are the key properties of 2-(4-methoxyphenyl)iminoacetate?
2-(4-methoxyphenyl)iminoacetate has a molecular weight of 178.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 22600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).