(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C7H11F3N2O4 — CID 107838612

IUPAC(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H11F3N2O4/c1-12(3-7(8,9)10)6(16)11-2-4(13)5(14)15/h4,13H,2-3H2,1H3,(H,11,16)(H,14,15)/t4-/m0/s1
InChIKeyZXAWDGAKHVGFNO-BYPYZUCNSA-N
MW244.17 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 107838612) has the molecular formula C7H11F3N2O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID107838612
Molecular FormulaC7H11F3N2O4
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H11F3N2O4/c1-12(3-7(8,9)10)6(16)11-2-4(13)5(14)15/h4,13H,2-3H2,1H3,(H,11,16)(H,14,15)/t4-/m0/s1
InChIKeyZXAWDGAKHVGFNO-BYPYZUCNSA-N
XLogP-0.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

3-(Carbamoylamino)-2-hydroxypropanoic acid
CID 54356605
2-Hydroxy-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164903
2-Hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164904
2-Hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 66165207
2-Hydroxy-3-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 66165736
2-Hydroxy-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 66166153
2-Hydroxy-3-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propanoic acid
CID 66166588
2-Hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66166743
2-Hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 66166963
2-Hydroxy-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 66167554
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66168052
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66168056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 107838612) is (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CN(CC(F)(F)F)C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZXAWDGAKHVGFNO-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F3N2O4/c1-12(3-7(8,9)10)6(16)11-2-4(13)5(14)15/h4,13H,2-3H2,1H3,(H,11,16)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 244.17 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 107838612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).