3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid

C12H15FN2O4 — CID 106110058

IUPAC3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H15FN2O4/c1-15(9-5-3-4-8(13)6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHGANWTHIQUADIL-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.07
Rot. Bonds5

About 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid

3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106110058) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106110058
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H15FN2O4/c1-15(9-5-3-4-8(13)6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHGANWTHIQUADIL-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
3-[(4-fluoro-2-iodophenyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144734
3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109943
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid (CID 106110058) is 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(C)c1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is HGANWTHIQUADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-15(9-5-3-4-8(13)6-9)12(18)14-7-10(19-2)11(16)17/h3-6,10H,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid?
3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 270.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).