ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate

C14H18N2O4 — CID 131732145

IUPACethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(NC(=O)/C=N\O)cc1
InChIInChI=1S/C14H18N2O4/c1-4-20-13(18)14(2,3)10-5-7-11(8-6-10)16-12(17)9-15-19/h5-9,19H,4H2,1-3H3,(H,16,17)/b15-9-
InChIKeyFQFQVGAGNRPBMJ-DHDCSXOGSA-N
MW278.31 g/mol
LogP1.93
Rot. Bonds5

About ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate

ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate (PubChem CID 131732145) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate
PubChem CID131732145
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(NC(=O)/C=N\O)cc1
InChIInChI=1S/C14H18N2O4/c1-4-20-13(18)14(2,3)10-5-7-11(8-6-10)16-12(17)9-15-19/h5-9,19H,4H2,1-3H3,(H,16,17)/b15-9-
InChIKeyFQFQVGAGNRPBMJ-DHDCSXOGSA-N
XLogP1.93
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpentanoate
CID 131732146
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
CID 124673407
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
ethyl 2-(4-methanethioylphenyl)-2-methylpropanoate
CID 87118214
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
ethyl 2-(3,3-difluoropropyl)-5,5-difluoro-2-[4-[[(2E)-2-hydroxyiminoacetyl]amino]phenyl]pentanoate;ethyl 2-(3,3-difluoropropyl)-2-(2,3-dioxo-1H-indol-5-yl)-5,5-difluoropentanoate
CID 172981817
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
2-hydroxyimino-N-(4-sulfamoylphenyl)acetamide
CID 53396757
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
ethyl (E)-4-(4-tert-butylanilino)but-2-enoate
CID 80546458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate (CID 131732145) is ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1ccc(NC(=O)/C=N\O)cc1.
What is the InChIKey of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate?
The InChIKey is FQFQVGAGNRPBMJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-20-13(18)14(2,3)10-5-7-11(8-6-10)16-12(17)9-15-19/h5-9,19H,4H2,1-3H3,(H,16,17)/b15-9-.
What are the key properties of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate?
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate has a molecular weight of 278.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpropanoate is sourced from PubChem (CID 131732145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).