methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate

C7H9F4NO4 — CID 103958229

IUPACmethyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO4/c1-16-4(14)3(13)2-12-6(15)7(10,11)5(8)9/h3,5,13H,2H2,1H3,(H,12,15)
InChIKeySFJAGPLFUKRMKJ-UHFFFAOYSA-N
MW247.14 g/mol
LogP-0.46
Rot. Bonds5

About methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate

methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate (PubChem CID 103958229) has the molecular formula C7H9F4NO4 and a molecular weight of 247.14 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
PubChem CID103958229
Molecular FormulaC7H9F4NO4
Molecular Weight247.14 g/mol
Exact Mass247.05
IUPAC Namemethyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO4/c1-16-4(14)3(13)2-12-6(15)7(10,11)5(8)9/h3,5,13H,2H2,1H3,(H,12,15)
InChIKeySFJAGPLFUKRMKJ-UHFFFAOYSA-N
XLogP-0.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
N-(2-amino-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119627588
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107214916
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
methyl 2,3,3,4,4-pentafluorobutanoate
CID 20600114
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
N-[2-(dimethylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732179
methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103879541

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate (CID 103958229) is methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate is COC(=O)C(O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate?
The InChIKey is SFJAGPLFUKRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO4/c1-16-4(14)3(13)2-12-6(15)7(10,11)5(8)9/h3,5,13H,2H2,1H3,(H,12,15).
What are the key properties of methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate?
methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate has a molecular weight of 247.14 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate is sourced from PubChem (CID 103958229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).