(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide

C11H20F3N3O3 — CID 82961897

IUPAC(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-7(2)9(15)10(20)16-5-8(19)17(3-4-18)6-11(12,13)14/h7,9,18H,3-6,15H2,1-2H3,(H,16,20)/t9-/m0/s1
InChIKeyFRVKHKWVJGUCKY-VIFPVBQESA-N
MW299.29 g/mol
LogP-0.53
Rot. Bonds7

About (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961897) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961897
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-7(2)9(15)10(20)16-5-8(19)17(3-4-18)6-11(12,13)14/h7,9,18H,3-6,15H2,1-2H3,(H,16,20)/t9-/m0/s1
InChIKeyFRVKHKWVJGUCKY-VIFPVBQESA-N
XLogP-0.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82961897) is (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is FRVKHKWVJGUCKY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-7(2)9(15)10(20)16-5-8(19)17(3-4-18)6-11(12,13)14/h7,9,18H,3-6,15H2,1-2H3,(H,16,20)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 299.29 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).