2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

C11H11F2NO5 — CID 110488121

IUPAC2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1cc(F)cc(F)c1)NC(CO)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-7(13)3-8(2-6)19-5-10(16)14-9(4-15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyZMAGGKPAGQASGL-UHFFFAOYSA-N
MW275.21 g/mol
LogP-0.09
Rot. Bonds6

About 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 110488121) has the molecular formula C11H11F2NO5 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID110488121
Molecular FormulaC11H11F2NO5
Molecular Weight275.21 g/mol
Exact Mass275.06
IUPAC Name2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1cc(F)cc(F)c1)NC(CO)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-7(13)3-8(2-6)19-5-10(16)14-9(4-15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyZMAGGKPAGQASGL-UHFFFAOYSA-N
XLogP-0.09
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
(2S)-2-[4-(4-fluorophenoxy)butanoylamino]-3-hydroxypropanoic acid
CID 61153383
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62480729
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (CID 110488121) is 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is O=C(COc1cc(F)cc(F)c1)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is ZMAGGKPAGQASGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO5/c12-6-1-7(13)3-8(2-6)19-5-10(16)14-9(4-15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 275.21 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 110488121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).