ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate

C12H15FN2O4 — CID 139207310

IUPACethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NOCc1ccccc1F
InChIInChI=1S/C12H15FN2O4/c1-2-18-11(16)7-14-12(17)15-19-8-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17)
InChIKeySTKKNNPDFLKUHL-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.12
Rot. Bonds6

About ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate

ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate (PubChem CID 139207310) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate
PubChem CID139207310
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NOCc1ccccc1F
InChIInChI=1S/C12H15FN2O4/c1-2-18-11(16)7-14-12(17)15-19-8-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17)
InChIKeySTKKNNPDFLKUHL-UHFFFAOYSA-N
XLogP1.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-((Phenylmethoxy)carbonyl)glycine ethyl ester
CID 14366
N-Carbobenzoxyglycine cyanomethyl ester
CID 17936
methyl N-benzyloxycarbonylglycinate
CID 71033
Benzyl 2-(methylamino)acetate
CID 7019103
Benzyl 2-formamidoacetate
CID 560875
N-(Benzyloxycarbonyl)-3,3,3-trifluoroalanine ethyl ester
CID 562278
Benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 14583853
N-carbamoylglycine benzyl ester
CID 23499905
1-(2-Methoxyethyl)-1-methyl-3-phenylmethoxyurea
CID 56801236
ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoroalaninate
CID 40573861
2-[(2-Fluorophenyl)methoxycarbonylamino]acetic acid
CID 69672253
CID 91094472
CID 91094472

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate (CID 139207310) is ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate is CCOC(=O)CNC(=O)NOCc1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate?
The InChIKey is STKKNNPDFLKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-2-18-11(16)7-14-12(17)15-19-8-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate?
ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate has a molecular weight of 270.26 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)methoxycarbamoylamino]acetate is sourced from PubChem (CID 139207310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).