[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone

C13H22N2O3 — CID 67441023

IUPAC[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone
SMILESNC1(C(=O)N2CC[C@H]3OC[C@H](O)[C@H]32)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(5-2-1-3-6-13)12(17)15-7-4-10-11(15)9(16)8-18-10/h9-11,16H,1-8,14H2/t9-,10+,11+/m0/s1
InChIKeyVCAAUUNOGCXZQE-HBNTYKKESA-N
MW254.33 g/mol
LogP0.01
Rot. Bonds1

About [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone

[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone (PubChem CID 67441023) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone
PubChem CID67441023
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone
SMILESNC1(C(=O)N2CC[C@H]3OC[C@H](O)[C@H]32)CCCCC1
InChIInChI=1S/C13H22N2O3/c14-13(5-2-1-3-6-13)12(17)15-7-4-10-11(15)9(16)8-18-10/h9-11,16H,1-8,14H2/t9-,10+,11+/m0/s1
InChIKeyVCAAUUNOGCXZQE-HBNTYKKESA-N
XLogP0.01
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone 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 [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone?
The IUPAC name of [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone (CID 67441023) is [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone.
What is the SMILES notation for [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone?
The canonical SMILES for [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone is NC1(C(=O)N2CC[C@H]3OC[C@H](O)[C@H]32)CCCCC1.
What is the InChIKey of [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone?
The InChIKey is VCAAUUNOGCXZQE-HBNTYKKESA-N. The full InChI is InChI=1S/C13H22N2O3/c14-13(5-2-1-3-6-13)12(17)15-7-4-10-11(15)9(16)8-18-10/h9-11,16H,1-8,14H2/t9-,10+,11+/m0/s1.
What are the key properties of [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone?
[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-(1-aminocyclohexyl)methanone is sourced from PubChem (CID 67441023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).