4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C12H20N2O4 — CID 106671002

IUPAC4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CC(O)C(O)C2)CC1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)14-4-8(3-11(14)17)12(18)13-5-9(15)10(16)6-13/h7-10,15-16H,3-6H2,1-2H3
InChIKeyTZEAJCZOLPDSSS-UHFFFAOYSA-N
MW256.30 g/mol
LogP-1.19
Rot. Bonds2

About 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 106671002) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID106671002
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CC(O)C(O)C2)CC1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)14-4-8(3-11(14)17)12(18)13-5-9(15)10(16)6-13/h7-10,15-16H,3-6H2,1-2H3
InChIKeyTZEAJCZOLPDSSS-UHFFFAOYSA-N
XLogP-1.19
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
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(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 98791325
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
4-(4-hydroxy-4-methylazepane-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 107406810
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108535541

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 106671002) is 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CC(O)C(O)C2)CC1=O.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is TZEAJCZOLPDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)14-4-8(3-11(14)17)12(18)13-5-9(15)10(16)6-13/h7-10,15-16H,3-6H2,1-2H3.
What are the key properties of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 256.30 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 106671002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).