3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid

C11H11F2NO4 — CID 106107462

IUPAC3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyMBVDTGYVBCUIDM-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.79
Rot. Bonds5

About 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid

3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106107462) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106107462
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyMBVDTGYVBCUIDM-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

3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid (CID 106107462) is 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is MBVDTGYVBCUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-18-9(11(16)17)5-14-10(15)7-3-2-6(12)4-8(7)13/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid?
3-[(2,4-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-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).