(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

C20H26N2O3 — CID 122015915

IUPAC(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESO=C(NCCC1CCc2ccccc21)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1
InChIInChI=1S/C20H26N2O3/c23-18(24)20-10-3-5-16(20)12-22(13-20)19(25)21-11-9-15-8-7-14-4-1-2-6-17(14)15/h1-2,4,6,15-16H,3,5,7-13H2,(H,21,25)(H,23,24)/t15?,16-,20+/m0/s1
InChIKeyMNFODCIQOVKHRY-XGNAPRINSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds4

About (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (PubChem CID 122015915) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
PubChem CID122015915
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESO=C(NCCC1CCc2ccccc21)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1
InChIInChI=1S/C20H26N2O3/c23-18(24)20-10-3-5-16(20)12-22(13-20)19(25)21-11-9-15-8-7-14-4-1-2-6-17(14)15/h1-2,4,6,15-16H,3,5,7-13H2,(H,21,25)(H,23,24)/t15?,16-,20+/m0/s1
InChIKeyMNFODCIQOVKHRY-XGNAPRINSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-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

1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015917
(3aS,6aR)-2-[2-(1-hydroxycyclobutyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013769
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
CID 138053388
(3aS,6aR)-2-(ethylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052749
(3aS,6aR)-2-[2-(2,6-dimethyloxan-4-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013663
(3aS,6aR)-2-[2-(1-fluorocyclobutyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122014320
(3aS,6aR)-2-[2-(methylsulfamoyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122011121
(3aS,6aR)-2-[(2-bromophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073423
(3aS,6aR)-2-(2-tert-butylsulfanylethylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122000382
(3aS,6aR)-2-(naphthalen-2-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073556
(3aS,6aR)-2-[(1-cyclopropylcyclobutyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007561
(3aS,6aR)-2-[2-[butyl(methyl)amino]ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122001914

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (CID 122015915) is (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is O=C(NCCC1CCc2ccccc21)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1.
What is the InChIKey of (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The InChIKey is MNFODCIQOVKHRY-XGNAPRINSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(24)20-10-3-5-16(20)12-22(13-20)19(25)21-11-9-15-8-7-14-4-1-2-6-17(14)15/h1-2,4,6,15-16H,3,5,7-13H2,(H,21,25)(H,23,24)/t15?,16-,20+/m0/s1.
What are the key properties of (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
(3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 122015915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).