5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione

C10H15N3O3 — CID 121202115

IUPAC5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN1C(=O)C2CCN(C(=O)CN)CC2C1=O
InChIInChI=1S/C10H15N3O3/c1-12-9(15)6-2-3-13(8(14)4-11)5-7(6)10(12)16/h6-7H,2-5,11H2,1H3
InChIKeyZEJUFMASVOFQMI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.59
Rot. Bonds1

About 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione

5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 121202115) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID121202115
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCN1C(=O)C2CCN(C(=O)CN)CC2C1=O
InChIInChI=1S/C10H15N3O3/c1-12-9(15)6-2-3-13(8(14)4-11)5-7(6)10(12)16/h6-7H,2-5,11H2,1H3
InChIKeyZEJUFMASVOFQMI-UHFFFAOYSA-N
XLogP-1.59
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione (CID 121202115) is 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione is CN1C(=O)C2CCN(C(=O)CN)CC2C1=O.
What is the InChIKey of 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is ZEJUFMASVOFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-9(15)6-2-3-13(8(14)4-11)5-7(6)10(12)16/h6-7H,2-5,11H2,1H3.
What are the key properties of 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 225.25 g/mol, XLogP of -1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 121202115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).