(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid

C7H9F4NO4 — CID 162426256

IUPAC(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
SMILESCOC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H9F4NO4/c1-3(4(13)14)12-5(15)6(8,9)7(10,11)16-2/h3H,1-2H3,(H,12,15)(H,13,14)/t3-/m1/s1
InChIKeyIMGNRSKAMYWONB-GSVOUGTGSA-N
MW247.14 g/mol
LogP0.45
Rot. Bonds5

About (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid

(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid (PubChem CID 162426256) has the molecular formula C7H9F4NO4 and a molecular weight of 247.14 g/mol. Its IUPAC name is (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
PubChem CID162426256
Molecular FormulaC7H9F4NO4
Molecular Weight247.14 g/mol
Exact Mass247.05
IUPAC Name(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
SMILESCOC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H9F4NO4/c1-3(4(13)14)12-5(15)6(8,9)7(10,11)16-2/h3H,1-2H3,(H,12,15)(H,13,14)/t3-/m1/s1
InChIKeyIMGNRSKAMYWONB-GSVOUGTGSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-trifluoroacetylserinate
CID 14390005
4-Methoxy-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 73121192
(2S)-3-hydroxy-2-(trifluoroacetamido)propanoic acid
CID 11217897
3-Hydroxy-2-(trifluoroacetamido)propanoic acid
CID 12137383
2-(2,2,3,3,3-Pentafluoropropanoylamino)propanoic acid
CID 54220643
(2R)-2-(Acetylamino)-3-(difluoromethoxy)propanoic acid
CID 57539222
Ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 58448718
2-Acetamido-3-(difluoromethoxy)propanoic acid
CID 76559628
(2R)-3-hydroxy-2-(trifluoroacetamido)propanoic acid
CID 80750339
(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid
CID 88948306
[(2S)-3-methoxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258355
[3-Methoxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 90237904

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid (CID 162426256) is (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid is COC(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?
The InChIKey is IMGNRSKAMYWONB-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H9F4NO4/c1-3(4(13)14)12-5(15)6(8,9)7(10,11)16-2/h3H,1-2H3,(H,12,15)(H,13,14)/t3-/m1/s1.
What are the key properties of (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid?
(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid has a molecular weight of 247.14 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid is sourced from PubChem (CID 162426256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).