ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate

C23H28N2O3 — CID 11394891

IUPACethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](O)CN1CCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)15-17-14-18(26)16-24(17)12-7-13-25-21-10-5-3-8-19(21)20-9-4-6-11-22(20)25/h3-6,8-11,17-18,26H,2,7,12-16H2,1H3/t17-,18-/m1/s1
InChIKeyJARVYIBJHOERLA-QZTJIDSGSA-N
MW380.49 g/mol
LogP3.57
Rot. Bonds7

About ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate

ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate (PubChem CID 11394891) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate
PubChem CID11394891
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](O)CN1CCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)15-17-14-18(26)16-24(17)12-7-13-25-21-10-5-3-8-19(21)20-9-4-6-11-22(20)25/h3-6,8-11,17-18,26H,2,7,12-16H2,1H3/t17-,18-/m1/s1
InChIKeyJARVYIBJHOERLA-QZTJIDSGSA-N
XLogP3.57
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate 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 ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate (CID 11394891) is ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate is CCOC(=O)C[C@H]1C[C@@H](O)CN1CCCn1c2ccccc2c2ccccc21.
What is the InChIKey of ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate?
The InChIKey is JARVYIBJHOERLA-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-23(27)15-17-14-18(26)16-24(17)12-7-13-25-21-10-5-3-8-19(21)20-9-4-6-11-22(20)25/h3-6,8-11,17-18,26H,2,7,12-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate?
ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate has a molecular weight of 380.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R)-1-(3-carbazol-9-ylpropyl)-4-hydroxypyrrolidin-2-yl]acetate is sourced from PubChem (CID 11394891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).