tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

C14H24FNO5 — CID 171797234

IUPACtert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(C(C)C(=O)OF)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24FNO5/c1-9(12(17)21-15)11(19-5)10-7-6-8-16(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3
InChIKeyNIISTJHTYGYDTB-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 171797234) has the molecular formula C14H24FNO5 and a molecular weight of 305.35 g/mol. Its IUPAC name is tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID171797234
Molecular FormulaC14H24FNO5
Molecular Weight305.35 g/mol
Exact Mass305.16
IUPAC Nametert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(C(C)C(=O)OF)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24FNO5/c1-9(12(17)21-15)11(19-5)10-7-6-8-16(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3
InChIKeyNIISTJHTYGYDTB-UHFFFAOYSA-N
XLogP2.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-3-((2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid
CID 11033491
tert-Butyl (S)-2-((1R,2R)-1,3-dimethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 90790440
(2R)-2-[(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]-2-fluoroacetic acid
CID 139048186
diethyl 2-[1-[(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]propanedioate
CID 166440740
(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 10659844
N-Boc-dolaproine-methyl
CID 11346731
Diethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]propanedioate
CID 124121386
3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 132187589
tert-butyl (2S)-2-[(1R,2R)-3-fluoro-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 53356198
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494673
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-methylpropanoic acid
CID 122494704
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (CID 171797234) is tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is COC(C(C)C(=O)OF)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is NIISTJHTYGYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO5/c1-9(12(17)21-15)11(19-5)10-7-6-8-16(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 305.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluorooxy-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 171797234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).