3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid

C11H11F2NO4 — CID 106107464

IUPAC3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJZYPFRBPHXUABD-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.79
Rot. Bonds5

About 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid

3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106107464) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106107464
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJZYPFRBPHXUABD-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid (CID 106107464) is 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is JZYPFRBPHXUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)6-2-7(12)4-8(13)3-6/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid?
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 259.21 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).