3-phenyl-2-(trifluoromethoxyamino)propanoic acid

C10H10F3NO3 — CID 87603238

IUPAC3-phenyl-2-(trifluoromethoxyamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NOC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-14-8(9(15)16)6-7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,15,16)
InChIKeySDYKOJXIEUEISO-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.72
Rot. Bonds5

About 3-phenyl-2-(trifluoromethoxyamino)propanoic acid

3-phenyl-2-(trifluoromethoxyamino)propanoic acid (PubChem CID 87603238) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-phenyl-2-(trifluoromethoxyamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(trifluoromethoxyamino)propanoic acid
PubChem CID87603238
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name3-phenyl-2-(trifluoromethoxyamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NOC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-14-8(9(15)16)6-7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,15,16)
InChIKeySDYKOJXIEUEISO-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxyamino]-3-phenylpropanoic acid
CID 22799859
2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432
CID 59686548
CID 59686548
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-3-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]propanoic acid
CID 58599733
3-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 60706861
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081160
(2S)-3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081161

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(trifluoromethoxyamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(trifluoromethoxyamino)propanoic acid (CID 87603238) is 3-phenyl-2-(trifluoromethoxyamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(trifluoromethoxyamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(trifluoromethoxyamino)propanoic acid is O=C(O)C(Cc1ccccc1)NOC(F)(F)F.
What is the InChIKey of 3-phenyl-2-(trifluoromethoxyamino)propanoic acid?
The InChIKey is SDYKOJXIEUEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)17-14-8(9(15)16)6-7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,15,16).
What are the key properties of 3-phenyl-2-(trifluoromethoxyamino)propanoic acid?
3-phenyl-2-(trifluoromethoxyamino)propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(trifluoromethoxyamino)propanoic acid is sourced from PubChem (CID 87603238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).