ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate

C13H17FN2O3 — CID 60638891

IUPACethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)
InChIKeyZZWRILCYUXRWPO-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.75
Rot. Bonds5

About ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate

ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate (PubChem CID 60638891) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
PubChem CID60638891
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)
InChIKeyZZWRILCYUXRWPO-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 81380473
ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 2-[1,3-bis(4-fluorophenyl)propan-2-ylcarbamoylamino]acetate
CID 46286166
2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463734
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
CID 42193857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate (CID 60638891) is ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NC(C)c1ccccc1F.
What is the InChIKey of ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?
The InChIKey is ZZWRILCYUXRWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 60638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).