(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

C10H18N2O2 — CID 67606562

IUPAC(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESNCCC1C[C@@H]2CN(C(=O)O)C[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c11-2-1-7-3-8-5-12(10(13)14)6-9(8)4-7/h7-9H,1-6,11H2,(H,13,14)/t7?,8-,9+
InChIKeyRDRKPJLWYMNSTB-CBLAIPOGSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds2

About (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 67606562) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID67606562
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESNCCC1C[C@@H]2CN(C(=O)O)C[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c11-2-1-7-3-8-5-12(10(13)14)6-9(8)4-7/h7-9H,1-6,11H2,(H,13,14)/t7?,8-,9+
InChIKeyRDRKPJLWYMNSTB-CBLAIPOGSA-N
XLogP0.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-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

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (CID 67606562) is (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is NCCC1C[C@@H]2CN(C(=O)O)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is RDRKPJLWYMNSTB-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-2-1-7-3-8-5-12(10(13)14)6-9(8)4-7/h7-9H,1-6,11H2,(H,13,14)/t7?,8-,9+.
What are the key properties of (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
(3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(2-aminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 67606562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).