3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid

C13H15FN2O5 — CID 106108103

IUPAC3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C13H15FN2O5/c1-21-10(13(19)20)6-15-11(17)7-16-12(18)8-4-2-3-5-9(8)14/h2-5,10H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyYSGSAILKJYLZPF-UHFFFAOYSA-N
MW298.27 g/mol
LogP-0.23
Rot. Bonds7

About 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid

3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid (PubChem CID 106108103) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
PubChem CID106108103
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C13H15FN2O5/c1-21-10(13(19)20)6-15-11(17)7-16-12(18)8-4-2-3-5-9(8)14/h2-5,10H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyYSGSAILKJYLZPF-UHFFFAOYSA-N
XLogP-0.23
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid (CID 106108103) is 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)CNC(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The InChIKey is YSGSAILKJYLZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-21-10(13(19)20)6-15-11(17)7-16-12(18)8-4-2-3-5-9(8)14/h2-5,10H,6-7H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid?
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid has a molecular weight of 298.27 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).