(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C16H20FNO4 — CID 170357049

IUPAC(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESCOc1ccc(CO[C@H]2CN3C[C@H](F)C[C@]3(C(=O)O)C2)cc1
InChIInChI=1S/C16H20FNO4/c1-21-13-4-2-11(3-5-13)10-22-14-7-16(15(19)20)6-12(17)8-18(16)9-14/h2-5,12,14H,6-10H2,1H3,(H,19,20)/t12-,14-,16-/m1/s1
InChIKeyXCIUVTTUXVVRHK-XNRPHZJLSA-N
MW309.34 g/mol
LogP1.85
Rot. Bonds5

About (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 170357049) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID170357049
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESCOc1ccc(CO[C@H]2CN3C[C@H](F)C[C@]3(C(=O)O)C2)cc1
InChIInChI=1S/C16H20FNO4/c1-21-13-4-2-11(3-5-13)10-22-14-7-16(15(19)20)6-12(17)8-18(16)9-14/h2-5,12,14H,6-10H2,1H3,(H,19,20)/t12-,14-,16-/m1/s1
InChIKeyXCIUVTTUXVVRHK-XNRPHZJLSA-N
XLogP1.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-methylphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 176937450
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(3aS,6aS)-3-[(4-methoxyphenyl)methoxy]-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole-1,6a-dicarboxylic acid
CID 170159159
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 132543717
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
benzyl (2S,3S)-3-fluoro-2-[(4-methoxyphenyl)methyl]azetidine-1-carboxylate
CID 140788019
(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
CID 167853417
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
3-hydroxy-2-[(4-methoxyphenyl)methyl]azetidine-1-carboxylic acid
CID 118903320

Frequently Asked Questions

What is the IUPAC name of (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 170357049) is (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is COc1ccc(CO[C@H]2CN3C[C@H](F)C[C@]3(C(=O)O)C2)cc1.
What is the InChIKey of (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is XCIUVTTUXVVRHK-XNRPHZJLSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-21-13-4-2-11(3-5-13)10-22-14-7-16(15(19)20)6-12(17)8-18(16)9-14/h2-5,12,14H,6-10H2,1H3,(H,19,20)/t12-,14-,16-/m1/s1.
What are the key properties of (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
(2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8S)-2-fluoro-6-[(4-methoxyphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 170357049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).