3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione

C9H14N2O4 — CID 107358260

IUPAC3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2C[C@@H](O)[C@@H](O)C2)C1=O
InChIInChI=1S/C9H14N2O4/c1-10-8(14)2-5(9(10)15)11-3-6(12)7(13)4-11/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+
InChIKeyDVRGGLWTUFXVSF-DGUCWDHESA-N
MW214.22 g/mol
LogP-2.22
Rot. Bonds1

About 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione

3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 107358260) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID107358260
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2C[C@@H](O)[C@@H](O)C2)C1=O
InChIInChI=1S/C9H14N2O4/c1-10-8(14)2-5(9(10)15)11-3-6(12)7(13)4-11/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+
InChIKeyDVRGGLWTUFXVSF-DGUCWDHESA-N
XLogP-2.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358243
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358265
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358170
3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358076
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
2-[1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidin-3-yl]acetic acid
CID 62688735
(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 877553
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110743774
N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 110748231
1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723679

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 107358260) is 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2C[C@@H](O)[C@@H](O)C2)C1=O.
What is the InChIKey of 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is DVRGGLWTUFXVSF-DGUCWDHESA-N. The full InChI is InChI=1S/C9H14N2O4/c1-10-8(14)2-5(9(10)15)11-3-6(12)7(13)4-11/h5-7,12-13H,2-4H2,1H3/t5?,6-,7+.
What are the key properties of 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 214.22 g/mol, XLogP of -2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).