(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

C11H21N3O — CID 118533449

IUPAC(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESCC1(CN2C[C@H]3CN(N)C[C@H]3C2)COC1
InChIInChI=1S/C11H21N3O/c1-11(7-15-8-11)6-13-2-9-4-14(12)5-10(9)3-13/h9-10H,2-8,12H2,1H3/t9-,10+
InChIKeyOWZVYLNDEAFGKM-AOOOYVTPSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds2

About (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (PubChem CID 118533449) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
PubChem CID118533449
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESCC1(CN2C[C@H]3CN(N)C[C@H]3C2)COC1
InChIInChI=1S/C11H21N3O/c1-11(7-15-8-11)6-13-2-9-4-14(12)5-10(9)3-13/h9-10H,2-8,12H2,1H3/t9-,10+
InChIKeyOWZVYLNDEAFGKM-AOOOYVTPSA-N
XLogP-0.24
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine 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)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (CID 118533449) is (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is CC1(CN2C[C@H]3CN(N)C[C@H]3C2)COC1.
What is the InChIKey of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The InChIKey is OWZVYLNDEAFGKM-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(7-15-8-11)6-13-2-9-4-14(12)5-10(9)3-13/h9-10H,2-8,12H2,1H3/t9-,10+.
What are the key properties of (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine has a molecular weight of 211.31 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is sourced from PubChem (CID 118533449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).