[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate

C12H20F3NO3 — CID 100909747

IUPAC[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESC[C@H](OC(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]1CCOC1
InChIInChI=1S/C12H20F3NO3/c1-8(16(3)7-12(13,14)15)11(17)19-9(2)10-4-5-18-6-10/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyCNHCTEJWZIYUCS-LPEHRKFASA-N
MW283.29 g/mol
LogP1.84
Rot. Bonds5

About [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate

[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 100909747) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Name[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID100909747
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESC[C@H](OC(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]1CCOC1
InChIInChI=1S/C12H20F3NO3/c1-8(16(3)7-12(13,14)15)11(17)19-9(2)10-4-5-18-6-10/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyCNHCTEJWZIYUCS-LPEHRKFASA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate with MolForge

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Related Compounds

1-(oxolan-3-yl)ethyl trifluoromethanesulfonate
CID 102621715
(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
CID 129432314
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
CID 117238102
(3-propan-2-yloxan-4-yl) 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
CID 166293747
3-(1-ethoxyethyl)oxolane
CID 11788363
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
methyl (2S)-3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 163557686
propan-2-yl 2-[methyl(oxolan-3-yl)amino]acetate
CID 78947797
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate (CID 100909747) is [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate is C[C@H](OC(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]1CCOC1.
What is the InChIKey of [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is CNHCTEJWZIYUCS-LPEHRKFASA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(16(3)7-12(13,14)15)11(17)19-9(2)10-4-5-18-6-10/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
[(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 283.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(3R)-oxolan-3-yl]ethyl] (2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 100909747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).