2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H20N2O3 — CID 114155495

IUPAC2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCOCC(CN)N1C(=O)C2CC(C)CC2C1=O
InChIInChI=1S/C12H20N2O3/c1-7-3-9-10(4-7)12(16)14(11(9)15)8(5-13)6-17-2/h7-10H,3-6,13H2,1-2H3
InChIKeyUHXCAQXQERKDNO-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.01
Rot. Bonds4

About 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114155495) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114155495
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCOCC(CN)N1C(=O)C2CC(C)CC2C1=O
InChIInChI=1S/C12H20N2O3/c1-7-3-9-10(4-7)12(16)14(11(9)15)8(5-13)6-17-2/h7-10H,3-6,13H2,1-2H3
InChIKeyUHXCAQXQERKDNO-UHFFFAOYSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-hydroxybutan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107861671
2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103227319
1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione
CID 106159174
4-(1-hydroxy-3-methoxypropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 106187209
2-methyl-6-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)heptanoic acid
CID 114391620
2-(1-amino-4-methylpentan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 63889731
2-(5-aminopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391513
3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 103225177
3-[(2S)-1-hydroxybutan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107861617
4,4-dimethyl-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
CID 114391666
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923
2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 165066524

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114155495) is 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is COCC(CN)N1C(=O)C2CC(C)CC2C1=O.
What is the InChIKey of 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is UHXCAQXQERKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-3-9-10(4-7)12(16)14(11(9)15)8(5-13)6-17-2/h7-10H,3-6,13H2,1-2H3.
What are the key properties of 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 240.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methoxypropan-2-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).