2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid

C8H13F3N2O3 — CID 63227857

IUPAC2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-5(6(14)15)13(2)7(16)12-4-3-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOUSKCEUTSVPEEL-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.05
Rot. Bonds4

About 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid

2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid (PubChem CID 63227857) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
PubChem CID63227857
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-5(6(14)15)13(2)7(16)12-4-3-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOUSKCEUTSVPEEL-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
CID 62637183
2-[methyl(4-propan-2-yloxybutylcarbamoyl)amino]propanoic acid
CID 106004564
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
CID 63959874
3-hydroxy-2-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227727
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 63240895

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid (CID 63227857) is 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid?
The InChIKey is OUSKCEUTSVPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-5(6(14)15)13(2)7(16)12-4-3-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid?
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid has a molecular weight of 242.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63227857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).