(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid

C10H11F2NO3 — CID 177312857

IUPAC(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)C[C@]3(CN12)CC3(F)F
InChIInChI=1S/C10H11F2NO3/c11-10(12)4-8(10)3-9(7(15)16)2-1-6(14)13(9)5-8/h1-5H2,(H,15,16)/t8-,9?/m1/s1
InChIKeyITPGARIJENUZJO-VEDVMXKPSA-N
MW231.20 g/mol
LogP0.86
Rot. Bonds1

About (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid

(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid (PubChem CID 177312857) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid.

Molecular Properties

Compound Name(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
PubChem CID177312857
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)C[C@]3(CN12)CC3(F)F
InChIInChI=1S/C10H11F2NO3/c11-10(12)4-8(10)3-9(7(15)16)2-1-6(14)13(9)5-8/h1-5H2,(H,15,16)/t8-,9?/m1/s1
InChIKeyITPGARIJENUZJO-VEDVMXKPSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid with MolForge

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Related Compounds

(2R,8S)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109266
1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109399
(2S,8R)-1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118112291
(2S,7aR)-2-Fluoro-5-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylic acid
CID 155211084
2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 156117224
2,2-Difluoro-5-oxohexahydro-1H-pyrrolizine-7a-carboxylic acid
CID 162393738
ethyl (8S)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylate
CID 164876007
ethyl (6R,8S)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylate
CID 165405624
(6R,8S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
CID 169792344
(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
CID 170305363
Ethyl 1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylate
CID 170423145
(2R,7aS)-2-Fluoro-5-oxohexahydro-1H-pyrrolizine-7a-carboxylic acid
CID 170898615

Frequently Asked Questions

What is the IUPAC name of (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The IUPAC name of (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid (CID 177312857) is (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid.
What is the SMILES notation for (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The canonical SMILES for (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid is O=C1CCC2(C(=O)O)C[C@]3(CN12)CC3(F)F.
What is the InChIKey of (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The InChIKey is ITPGARIJENUZJO-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-10(12)4-8(10)3-9(7(15)16)2-1-6(14)13(9)5-8/h1-5H2,(H,15,16)/t8-,9?/m1/s1.
What are the key properties of (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
(6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid has a molecular weight of 231.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1',1'-difluoro-3-oxospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]-8-carboxylic acid is sourced from PubChem (CID 177312857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).