(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid

C8H13F3N2O3 — CID 79260755

IUPAC(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-2-5(7(15)16)13-6(14)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyYBASVDRDZOUYHD-RXMQYKEDSA-N
MW242.20 g/mol
LogP0.12
Rot. Bonds6

About (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid

(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid (PubChem CID 79260755) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
PubChem CID79260755
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-2-5(7(15)16)13-6(14)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyYBASVDRDZOUYHD-RXMQYKEDSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid (CID 79260755) is (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid is CC[C@@H](NC(=O)CNCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The InChIKey is YBASVDRDZOUYHD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-2-5(7(15)16)13-6(14)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid has a molecular weight of 242.20 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 79260755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).