(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone

C9H16N2O3 — CID 106668555

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC(O)C(O)C1
InChIInChI=1S/C9H16N2O3/c12-7-5-11(6-8(7)13)9(14)10-3-1-2-4-10/h7-8,12-13H,1-6H2
InChIKeyNVWJHXGNOGLCQA-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.76
Rot. Bonds

About (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone

(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 106668555) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID106668555
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC(O)C(O)C1
InChIInChI=1S/C9H16N2O3/c12-7-5-11(6-8(7)13)9(14)10-3-1-2-4-10/h7-8,12-13H,1-6H2
InChIKeyNVWJHXGNOGLCQA-UHFFFAOYSA-N
XLogP-0.76
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103532063
1-(3,4-dihydroxypyrrolidine-1-carbonyl)azepane-2-carboxylic acid
CID 106670554
3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
CID 54036379
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
3,4-dihydroxypyrrolidine-1-carboxamide
CID 21474962
1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone (CID 106668555) is (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NVWJHXGNOGLCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-7-5-11(6-8(7)13)9(14)10-3-1-2-4-10/h7-8,12-13H,1-6H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone?
(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 200.24 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 106668555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).