(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid

C28H28FNO4 — CID 118145140

IUPAC(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1
InChIInChI=1S/C28H28FNO4/c1-16(28(31)32)27(17-6-7-17)19-4-3-5-21(12-19)34-26-11-8-18-13-25(30-15-23(18)26)22-14-20(33-2)9-10-24(22)29/h3-5,9-10,12-17,26-27H,6-8,11H2,1-2H3,(H,31,32)/t16-,26+,27-/m0/s1
InChIKeyWYJZPWYMAAGCGK-GENHPLMOSA-N
MW461.53 g/mol
LogP6.18
Rot. Bonds8

About (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid

(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid (PubChem CID 118145140) has the molecular formula C28H28FNO4 and a molecular weight of 461.53 g/mol. Its IUPAC name is (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
PubChem CID118145140
Molecular FormulaC28H28FNO4
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1
InChIInChI=1S/C28H28FNO4/c1-16(28(31)32)27(17-6-7-17)19-4-3-5-21(12-19)34-26-11-8-18-13-25(30-15-23(18)26)22-14-20(33-2)9-10-24(22)29/h3-5,9-10,12-17,26-27H,6-8,11H2,1-2H3,(H,31,32)/t16-,26+,27-/m0/s1
InChIKeyWYJZPWYMAAGCGK-GENHPLMOSA-N
XLogP6.18
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid?
The IUPAC name of (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid (CID 118145140) is (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid?
The canonical SMILES for (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid is COc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1.
What is the InChIKey of (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid?
The InChIKey is WYJZPWYMAAGCGK-GENHPLMOSA-N. The full InChI is InChI=1S/C28H28FNO4/c1-16(28(31)32)27(17-6-7-17)19-4-3-5-21(12-19)34-26-11-8-18-13-25(30-15-23(18)26)22-14-20(33-2)9-10-24(22)29/h3-5,9-10,12-17,26-27H,6-8,11H2,1-2H3,(H,31,32)/t16-,26+,27-/m0/s1.
What are the key properties of (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid?
(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid has a molecular weight of 461.53 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 118145140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).