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

C12H13F2NO5 — CID 81077351

IUPAC2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C12H13F2NO5/c1-19-5-9(12(17)18)15-11(16)6-20-10-3-2-7(13)4-8(10)14/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJVCCTXGMVJCQCQ-UHFFFAOYSA-N
MW289.23 g/mol
LogP0.56
Rot. Bonds7

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

2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid (PubChem CID 81077351) has the molecular formula C12H13F2NO5 and a molecular weight of 289.23 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
PubChem CID81077351
Molecular FormulaC12H13F2NO5
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C12H13F2NO5/c1-19-5-9(12(17)18)15-11(16)6-20-10-3-2-7(13)4-8(10)14/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJVCCTXGMVJCQCQ-UHFFFAOYSA-N
XLogP0.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid with MolForge

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Related Compounds

2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077110
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
(2R)-3-(2,4-difluorophenoxy)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 59280440
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
(2S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307164
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid (CID 81077351) is 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)COc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The InChIKey is JVCCTXGMVJCQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO5/c1-19-5-9(12(17)18)15-11(16)6-20-10-3-2-7(13)4-8(10)14/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid has a molecular weight of 289.23 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).