ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate

C14H20F3NO5 — CID 134905636

IUPACethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESCCOC(=O)C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyGYJHWHYNPQPODA-VHSXEESVSA-N
MW339.31 g/mol
LogP2.51
Rot. Bonds6

About ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate

ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (PubChem CID 134905636) has the molecular formula C14H20F3NO5 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Nameethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
PubChem CID134905636
Molecular FormulaC14H20F3NO5
Molecular Weight339.31 g/mol
Exact Mass339.13
IUPAC Nameethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
SMILESCCOC(=O)C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyGYJHWHYNPQPODA-VHSXEESVSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate with MolForge

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4S)-4-(difluoromethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 101333676
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
1-tert-Butyl 2-ethyl 3,3-difluoropyrrolidine-1,2-dicarboxylate
CID 118865518
Pyroglutamic acid, butyl ester, TFA
CID 527838
l-Proline, n-heptafluorobutyryl-, isobutyl ester
CID 13743524
l-Proline, n-pentafluoropropionyl-, isobutyl ester
CID 86238558
l-Proline, n-pentafluoropropionyl-, isohexyl ester
CID 91735108
l-Proline, n-heptafluorobutyryl-, isohexyl ester
CID 91739822
(S)-1-tert-Butyl 2-ethyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 91825949
2-methylprop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
CID 10571754
prop-2-enyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
CID 10642574
ethyl (3R,4R)-4-methyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
CID 15721025

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The IUPAC name of ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate (CID 134905636) is ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate.
What is the SMILES notation for ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The canonical SMILES for ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is CCOC(=O)C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)C(F)(F)F.
What is the InChIKey of ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
The InChIKey is GYJHWHYNPQPODA-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20F3NO5/c1-4-22-12(20)6-9(14(15,16)17)5-11(19)18-10(8(2)3)7-23-13(18)21/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate?
ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate has a molecular weight of 339.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate is sourced from PubChem (CID 134905636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).