3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione

C9H16N2O3 — CID 107358045

IUPAC3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCC(CCO)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-6(3-4-12)10-7-5-8(13)11(2)9(7)14/h6-7,10,12H,3-5H2,1-2H3
InChIKeyOYPYAVSGWZIPTQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.90
Rot. Bonds4

About 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione

3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 107358045) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID107358045
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCC(CCO)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-6(3-4-12)10-7-5-8(13)11(2)9(7)14/h6-7,10,12H,3-5H2,1-2H3
InChIKeyOYPYAVSGWZIPTQ-UHFFFAOYSA-N
XLogP-0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.90
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-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 103390234
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
(4S)-5-fluoro-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 90168311
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
CID 79579380
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
CID 62695032
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 61469351
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione (CID 107358045) is 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione is CC(CCO)NC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is OYPYAVSGWZIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(3-4-12)10-7-5-8(13)11(2)9(7)14/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione?
3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).