2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid

C13H16FNO4 — CID 166249701

IUPAC2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCC(OC(C)C(=O)N(C)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-8(19-9(2)13(17)18)12(16)15(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,17,18)
InChIKeyIUCSIVXJODJTMO-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.67
Rot. Bonds5

About 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid

2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 166249701) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID166249701
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCC(OC(C)C(=O)N(C)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-8(19-9(2)13(17)18)12(16)15(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,17,18)
InChIKeyIUCSIVXJODJTMO-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
CID 115588406
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
2-[[[(4-fluorophenyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221688
2-amino-N-(4-fluorophenyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106151346

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid (CID 166249701) is 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid is CC(OC(C)C(=O)N(C)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is IUCSIVXJODJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8(19-9(2)13(17)18)12(16)15(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 166249701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).