ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate

C11H14FNO3 — CID 104711228

IUPACethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-16-11(15)10(7-14)13-9-5-3-8(12)4-6-9/h3-6,10,13-14H,2,7H2,1H3
InChIKeyUOUUNBDCBCDHQW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate

ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate (PubChem CID 104711228) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
PubChem CID104711228
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Nameethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-16-11(15)10(7-14)13-9-5-3-8(12)4-6-9/h3-6,10,13-14H,2,7H2,1H3
InChIKeyUOUUNBDCBCDHQW-UHFFFAOYSA-N
XLogP1.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
CID 140734868
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
ethyl 2-(4-bromo-3-fluoroanilino)butanoate
CID 65437331
methyl 2-(4-fluoroanilino)-4-phenylbutanoate
CID 62881970
2-(4-fluoroanilino)-4,4-dimethoxybutanamide
CID 66270904
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate (CID 104711228) is ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate is CCOC(=O)C(CO)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate?
The InChIKey is UOUUNBDCBCDHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-16-11(15)10(7-14)13-9-5-3-8(12)4-6-9/h3-6,10,13-14H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate?
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate has a molecular weight of 227.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate is sourced from PubChem (CID 104711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).