ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate

C14H16FNO3 — CID 110485221

IUPACethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c1-2-19-12(17)9-16-13(18)14(7-8-14)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyKJFBQSAZKHTGMG-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.54
Rot. Bonds5

About ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate

ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate (PubChem CID 110485221) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
PubChem CID110485221
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c1-2-19-12(17)9-16-13(18)14(7-8-14)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyKJFBQSAZKHTGMG-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate (CID 110485221) is ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate is CCOC(=O)CNC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The InChIKey is KJFBQSAZKHTGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-19-12(17)9-16-13(18)14(7-8-14)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate has a molecular weight of 265.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 110485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).