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

C12H14N2O4 — CID 124673407

IUPACethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)/C=N\O)cc1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(16)7-9-3-5-10(6-4-9)14-11(15)8-13-17/h3-6,8,17H,2,7H2,1H3,(H,14,15)/b13-8-
InChIKeyBBDCFEOYIREZAW-JYRVWZFOSA-N
MW250.25 g/mol
LogP1.19
Rot. Bonds5

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

ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate (PubChem CID 124673407) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
PubChem CID124673407
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)/C=N\O)cc1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(16)7-9-3-5-10(6-4-9)14-11(15)8-13-17/h3-6,8,17H,2,7H2,1H3,(H,14,15)/b13-8-
InChIKeyBBDCFEOYIREZAW-JYRVWZFOSA-N
XLogP1.19
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.19
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-methylpropanoate
CID 131732145
N-(4-butylphenyl)-2-hydroxyiminoacetamide
CID 53405867
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpentanoate
CID 131732146
ethyl 2-[4-[[(1R)-1-iodoethyl]amino]phenyl]acetate
CID 142030495
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
diethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenyl]methyl]-2-methylpropanedioate
CID 10498038
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
CID 72940252
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate (CID 124673407) is ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)/C=N\O)cc1.
What is the InChIKey of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate?
The InChIKey is BBDCFEOYIREZAW-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-18-12(16)7-9-3-5-10(6-4-9)14-11(15)8-13-17/h3-6,8,17H,2,7H2,1H3,(H,14,15)/b13-8-.
What are the key properties of ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate?
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate has a molecular weight of 250.25 g/mol, XLogP of 1.19, 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]acetate is sourced from PubChem (CID 124673407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).