3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione

C8H15N3O2 — CID 103390234

IUPAC3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCC(CN)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H15N3O2/c1-5(4-9)10-6-3-7(12)11(2)8(6)13/h5-6,10H,3-4,9H2,1-2H3
InChIKeyMTBFUUDQRGDVGD-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds3

About 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione

3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 103390234) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID103390234
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCC(CN)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H15N3O2/c1-5(4-9)10-6-3-7(12)11(2)8(6)13/h5-6,10H,3-4,9H2,1-2H3
InChIKeyMTBFUUDQRGDVGD-UHFFFAOYSA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107358045
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
CID 43638674
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 106160462
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358037
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-propan-2-ylthiourea
CID 116509145
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
CID 62695032
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione (CID 103390234) is 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione is CC(CN)NC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is MTBFUUDQRGDVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(4-9)10-6-3-7(12)11(2)8(6)13/h5-6,10H,3-4,9H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 185.23 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 103390234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).