(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C15H27N3O — CID 59614289

IUPAC(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC(N)(C3CCCC3)C[C@@H]2C1
InChIInChI=1S/C15H27N3O/c1-17(2)14(19)18-9-11-7-15(16,8-12(11)10-18)13-5-3-4-6-13/h11-13H,3-10,16H2,1-2H3/t11-,12+,15?
InChIKeyRJPVZSDNSNZBEC-ODOQXGPZSA-N
MW265.40 g/mol
LogP1.90
Rot. Bonds1

About (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 59614289) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID59614289
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC(N)(C3CCCC3)C[C@@H]2C1
InChIInChI=1S/C15H27N3O/c1-17(2)14(19)18-9-11-7-15(16,8-12(11)10-18)13-5-3-4-6-13/h11-13H,3-10,16H2,1-2H3/t11-,12+,15?
InChIKeyRJPVZSDNSNZBEC-ODOQXGPZSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 59614289) is (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is CN(C)C(=O)N1C[C@@H]2CC(N)(C3CCCC3)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is RJPVZSDNSNZBEC-ODOQXGPZSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(2)14(19)18-9-11-7-15(16,8-12(11)10-18)13-5-3-4-6-13/h11-13H,3-10,16H2,1-2H3/t11-,12+,15?.
What are the key properties of (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 59614289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).