(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C14H23F3N2O3 — CID 99841666

IUPAC(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC(C)(C)O1
InChIInChI=1S/C14H23F3N2O3/c1-8(2)10(19-12(21)14(15,16)17)11(20)18-7-9-5-6-13(3,4)22-9/h8-10H,5-7H2,1-4H3,(H,18,20)(H,19,21)/t9-,10+/m1/s1
InChIKeyYZRNCBMEYPQQLP-ZJUUUORDSA-N
MW324.34 g/mol
LogP1.76
Rot. Bonds5

About (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 99841666) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID99841666
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC(C)(C)O1
InChIInChI=1S/C14H23F3N2O3/c1-8(2)10(19-12(21)14(15,16)17)11(20)18-7-9-5-6-13(3,4)22-9/h8-10H,5-7H2,1-4H3,(H,18,20)(H,19,21)/t9-,10+/m1/s1
InChIKeyYZRNCBMEYPQQLP-ZJUUUORDSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 99841666) is (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC(C)(C)O1.
What is the InChIKey of (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is YZRNCBMEYPQQLP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-8(2)10(19-12(21)14(15,16)17)11(20)18-7-9-5-6-13(3,4)22-9/h8-10H,5-7H2,1-4H3,(H,18,20)(H,19,21)/t9-,10+/m1/s1.
What are the key properties of (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 324.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 99841666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).