2-(3,4,4-trifluorobut-3-enylamino)propanoic acid

C7H10F3NO2 — CID 19379985

IUPAC2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
SMILESCC(NCCC(F)=C(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO2/c1-4(7(12)13)11-3-2-5(8)6(9)10/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyPMQAJPAHRWOHDJ-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.52
Rot. Bonds5

About 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid

2-(3,4,4-trifluorobut-3-enylamino)propanoic acid (PubChem CID 19379985) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
PubChem CID19379985
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
SMILESCC(NCCC(F)=C(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO2/c1-4(7(12)13)11-3-2-5(8)6(9)10/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyPMQAJPAHRWOHDJ-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
CID 54197147
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
methyl 3-methyl-2-(3,4,4-trifluorobut-3-enylamino)butanoate
CID 15239151
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
2-(pentylamino)propanoic acid
CID 43467235
2-(hexadecylamino)propanoic acid
CID 15919803
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
(2S)-2-(2-cyanoethylamino)propanoic acid
CID 54110515

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid (CID 19379985) is 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid is CC(NCCC(F)=C(F)F)C(=O)O.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid?
The InChIKey is PMQAJPAHRWOHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4(7(12)13)11-3-2-5(8)6(9)10/h4,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid?
2-(3,4,4-trifluorobut-3-enylamino)propanoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylamino)propanoic acid is sourced from PubChem (CID 19379985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).