2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid

C13H15F3N2O3 — CID 62488199

IUPAC2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(10(19)20,9-6-4-3-5-7-9)17-11(21)18(2)8-13(14,15)16/h3-7H,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIYOFVXZXGJDMGC-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.19
Rot. Bonds4

About 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid

2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid (PubChem CID 62488199) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
PubChem CID62488199
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(10(19)20,9-6-4-3-5-7-9)17-11(21)18(2)8-13(14,15)16/h3-7H,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIYOFVXZXGJDMGC-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
CID 62489576
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid (CID 62488199) is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid is CN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid?
The InChIKey is IYOFVXZXGJDMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(10(19)20,9-6-4-3-5-7-9)17-11(21)18(2)8-13(14,15)16/h3-7H,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid?
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid has a molecular weight of 304.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62488199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).