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

C11H11F2NO5 — CID 80749171

IUPAC(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1ccc(F)cc1F)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeySOUBGQCDTJQQJE-MRVPVSSYSA-N
MW275.21 g/mol
LogP-0.09
Rot. Bonds6

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

(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80749171) has the molecular formula C11H11F2NO5 and a molecular weight of 275.21 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80749171
Molecular FormulaC11H11F2NO5
Molecular Weight275.21 g/mol
Exact Mass275.06
IUPAC Name(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1ccc(F)cc1F)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeySOUBGQCDTJQQJE-MRVPVSSYSA-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

2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-[[2-(3,5-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 110488121
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357584
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (CID 80749171) is (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is O=C(COc1ccc(F)cc1F)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is SOUBGQCDTJQQJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(2,4-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 (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80749171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).