5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

C9H10F3NO4 — CID 170305343

IUPAC5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)CC(OC(F)(F)F)CN12
InChIInChI=1S/C9H10F3NO4/c10-9(11,12)17-5-3-8(7(15)16)2-1-6(14)13(8)4-5/h5H,1-4H2,(H,15,16)
InChIKeyUQIOGRWPTWCWAE-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.74
Rot. Bonds2

About 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (PubChem CID 170305343) has the molecular formula C9H10F3NO4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
PubChem CID170305343
Molecular FormulaC9H10F3NO4
Molecular Weight253.18 g/mol
Exact Mass253.06
IUPAC Name5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)CC(OC(F)(F)F)CN12
InChIInChI=1S/C9H10F3NO4/c10-9(11,12)17-5-3-8(7(15)16)2-1-6(14)13(8)4-5/h5H,1-4H2,(H,15,16)
InChIKeyUQIOGRWPTWCWAE-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 170367901
2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109007
3,6-dioxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid
CID 170451238
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168709235
1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168714744
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155254434
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109399
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The IUPAC name of 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (CID 170305343) is 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.
What is the SMILES notation for 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The canonical SMILES for 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is O=C1CCC2(C(=O)O)CC(OC(F)(F)F)CN12.
What is the InChIKey of 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The InChIKey is UQIOGRWPTWCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4/c10-9(11,12)17-5-3-8(7(15)16)2-1-6(14)13(8)4-5/h5H,1-4H2,(H,15,16).
What are the key properties of 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid has a molecular weight of 253.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 170305343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).