(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

C14H20N4O2 — CID 133127959

IUPAC(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1nccnc1CN1C[C@H]2CN(C)C[C@@]2(C(=O)O)C1
InChIInChI=1S/C14H20N4O2/c1-10-12(16-4-3-15-10)7-18-6-11-5-17(2)8-14(11,9-18)13(19)20/h3-4,11H,5-9H2,1-2H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyAZZWSQFNPDVUDC-BXUZGUMPSA-N
MW276.34 g/mol
LogP0.23
Rot. Bonds3

About (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 133127959) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID133127959
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1nccnc1CN1C[C@H]2CN(C)C[C@@]2(C(=O)O)C1
InChIInChI=1S/C14H20N4O2/c1-10-12(16-4-3-15-10)7-18-6-11-5-17(2)8-14(11,9-18)13(19)20/h3-4,11H,5-9H2,1-2H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyAZZWSQFNPDVUDC-BXUZGUMPSA-N
XLogP0.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (CID 133127959) is (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is Cc1nccnc1CN1C[C@H]2CN(C)C[C@@]2(C(=O)O)C1.
What is the InChIKey of (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is AZZWSQFNPDVUDC-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-12(16-4-3-15-10)7-18-6-11-5-17(2)8-14(11,9-18)13(19)20/h3-4,11H,5-9H2,1-2H3,(H,19,20)/t11-,14-/m1/s1.
What are the key properties of (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-methyl-5-[(3-methylpyrazin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 133127959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).