(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid

C11H12N2O3 — CID 102283763

IUPAC(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid
SMILESO=C(O)[C@@H]1CNC2Nc3ccccc3[C@]21O
InChIInChI=1S/C11H12N2O3/c14-9(15)7-5-12-10-11(7,16)6-3-1-2-4-8(6)13-10/h1-4,7,10,12-13,16H,5H2,(H,14,15)/t7-,10?,11+/m0/s1
InChIKeyGYZXOINQLDQFLH-SHGBLELPSA-N
MW220.23 g/mol
LogP-0.07
Rot. Bonds1

About (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid

(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid (PubChem CID 102283763) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid
PubChem CID102283763
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid
SMILESO=C(O)[C@@H]1CNC2Nc3ccccc3[C@]21O
InChIInChI=1S/C11H12N2O3/c14-9(15)7-5-12-10-11(7,16)6-3-1-2-4-8(6)13-10/h1-4,7,10,12-13,16H,5H2,(H,14,15)/t7-,10?,11+/m0/s1
InChIKeyGYZXOINQLDQFLH-SHGBLELPSA-N
XLogP-0.07
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid?
The IUPAC name of (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid (CID 102283763) is (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid.
What is the SMILES notation for (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid?
The canonical SMILES for (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid is O=C(O)[C@@H]1CNC2Nc3ccccc3[C@]21O.
What is the InChIKey of (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid?
The InChIKey is GYZXOINQLDQFLH-SHGBLELPSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9(15)7-5-12-10-11(7,16)6-3-1-2-4-8(6)13-10/h1-4,7,10,12-13,16H,5H2,(H,14,15)/t7-,10?,11+/m0/s1.
What are the key properties of (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid?
(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid is sourced from PubChem (CID 102283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).