ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate

C26H26N2O4 — CID 134501631

IUPACethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate
SMILESCCOC(=O)N1c2ccccc2[C@H]2CC(C(O)(c3ccccc3)c3ccccc3)N(O)[C@H]21
InChIInChI=1S/C26H26N2O4/c1-2-32-25(29)27-22-16-10-9-15-20(22)21-17-23(28(31)24(21)27)26(30,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,21,23-24,30-31H,2,17H2,1H3/t21-,23?,24-/m1/s1
InChIKeySIQLWTSIKIPDDC-VNDUYKDKSA-N
MW430.50 g/mol
LogP4.47
Rot. Bonds4

About ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate

ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate (PubChem CID 134501631) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate
PubChem CID134501631
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Nameethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate
SMILESCCOC(=O)N1c2ccccc2[C@H]2CC(C(O)(c3ccccc3)c3ccccc3)N(O)[C@H]21
InChIInChI=1S/C26H26N2O4/c1-2-32-25(29)27-22-16-10-9-15-20(22)21-17-23(28(31)24(21)27)26(30,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,21,23-24,30-31H,2,17H2,1H3/t21-,23?,24-/m1/s1
InChIKeySIQLWTSIKIPDDC-VNDUYKDKSA-N
XLogP4.47
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate 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

tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
CID 582671
[(1S,2R)-2-ethoxycyclopropyl]-diphenylmethanol
CID 125473550
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
ethyl 3-cyano-2-methyl-3H-indazole-1-carboxylate
CID 24975767
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 2-hydroxy-2,2-diphenylethanimidate
CID 139840851
diethyl (4aS,9aS)-9-acetyl-1,3,4,4a,9a,10-hexahydrocyclopenta[b]carbazole-2,2-dicarboxylate
CID 134938806
ethyl 2-phenyl-2H-1,3-benzothiazole-3-carboxylate
CID 46894218

Frequently Asked Questions

What is the IUPAC name of ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate?
The IUPAC name of ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate (CID 134501631) is ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate.
What is the SMILES notation for ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate?
The canonical SMILES for ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate is CCOC(=O)N1c2ccccc2[C@H]2CC(C(O)(c3ccccc3)c3ccccc3)N(O)[C@H]21.
What is the InChIKey of ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate?
The InChIKey is SIQLWTSIKIPDDC-VNDUYKDKSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-2-32-25(29)27-22-16-10-9-15-20(22)21-17-23(28(31)24(21)27)26(30,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,21,23-24,30-31H,2,17H2,1H3/t21-,23?,24-/m1/s1.
What are the key properties of ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate?
ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3aR,8bR)-3-hydroxy-2-[hydroxy(diphenyl)methyl]-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-4-carboxylate is sourced from PubChem (CID 134501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).