(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C8H14F3N3O2 — CID 86654760

IUPAC(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC[C@H](NC(=O)C(F)(F)F)C(=O)NCCN
InChIInChI=1S/C8H14F3N3O2/c1-2-5(6(15)13-4-3-12)14-7(16)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,15)(H,14,16)/t5-/m0/s1
InChIKeyQICFYWHQTZHMLU-YFKPBYRVSA-N
MW241.21 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide

(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 86654760) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID86654760
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC[C@H](NC(=O)C(F)(F)F)C(=O)NCCN
InChIInChI=1S/C8H14F3N3O2/c1-2-5(6(15)13-4-3-12)14-7(16)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,15)(H,14,16)/t5-/m0/s1
InChIKeyQICFYWHQTZHMLU-YFKPBYRVSA-N
XLogP-0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 86654760) is (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CC[C@H](NC(=O)C(F)(F)F)C(=O)NCCN.
What is the InChIKey of (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is QICFYWHQTZHMLU-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-2-5(6(15)13-4-3-12)14-7(16)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,15)(H,14,16)/t5-/m0/s1.
What are the key properties of (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
(2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 241.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminoethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 86654760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).