tert-butyl 2-(4-methoxyphenyl)iminoacetate

C13H17NO3 — CID 10879093

IUPACtert-butyl 2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(15)9-14-10-5-7-11(16-4)8-6-10/h5-9H,1-4H3/b14-9+
InChIKeyFQVHFTILSSJEOZ-NTEUORMPSA-N
MW235.28 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl 2-(4-methoxyphenyl)iminoacetate

tert-butyl 2-(4-methoxyphenyl)iminoacetate (PubChem CID 10879093) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl 2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Nametert-butyl 2-(4-methoxyphenyl)iminoacetate
PubChem CID10879093
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nametert-butyl 2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(15)9-14-10-5-7-11(16-4)8-6-10/h5-9H,1-4H3/b14-9+
InChIKeyFQVHFTILSSJEOZ-NTEUORMPSA-N
XLogP2.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.74
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
2-(4-methoxyphenyl)iminoacetate
CID 22600240
tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
CID 15675079
tert-butyl N-[(2S)-1-(4-methoxyphenyl)imino-3-methylbutan-2-yl]carbamate
CID 15675085
thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
CID 175095039
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
tert-butyl (E)-5-(4-methoxyphenyl)pent-2-en-4-ynoate
CID 102425561
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614
tert-butyl (4S)-4-[(4-methoxyphenyl)iminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11024112
tert-butyl (4R)-4-[(4-methoxyphenyl)iminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15675076

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of tert-butyl 2-(4-methoxyphenyl)iminoacetate (CID 10879093) is tert-butyl 2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for tert-butyl 2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for tert-butyl 2-(4-methoxyphenyl)iminoacetate is COc1ccc(/N=C/C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-methoxyphenyl)iminoacetate?
The InChIKey is FQVHFTILSSJEOZ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)17-12(15)9-14-10-5-7-11(16-4)8-6-10/h5-9H,1-4H3/b14-9+.
What are the key properties of tert-butyl 2-(4-methoxyphenyl)iminoacetate?
tert-butyl 2-(4-methoxyphenyl)iminoacetate has a molecular weight of 235.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 10879093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).