N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide

C12H20F3N3O3 — CID 129344126

IUPACN-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide
SMILESCN1CCO[C@H](CN(CC(N)=O)C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-17-4-5-21-9(6-17)7-18(8-10(16)19)11(20)2-3-12(13,14)15/h9H,2-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyYODGHOVZMJHUMK-VIFPVBQESA-N
MW311.30 g/mol
LogP-0.03
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide

N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide (PubChem CID 129344126) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide
PubChem CID129344126
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide
SMILESCN1CCO[C@H](CN(CC(N)=O)C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-17-4-5-21-9(6-17)7-18(8-10(16)19)11(20)2-3-12(13,14)15/h9H,2-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyYODGHOVZMJHUMK-VIFPVBQESA-N
XLogP-0.03
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide (CID 129344126) is N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide is CN1CCO[C@H](CN(CC(N)=O)C(=O)CCC(F)(F)F)C1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide?
The InChIKey is YODGHOVZMJHUMK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-17-4-5-21-9(6-17)7-18(8-10(16)19)11(20)2-3-12(13,14)15/h9H,2-8H2,1H3,(H2,16,19)/t9-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide?
N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide has a molecular weight of 311.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4,4,4-trifluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 129344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).