[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

C10H18N2O3 — CID 107220773

IUPAC[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H18N2O3/c1-6-2-11-3-7(6)10(15)12-4-8(13)9(14)5-12/h6-9,11,13-14H,2-5H2,1H3/t6?,7?,8-,9+
InChIKeyJUADVYLZGJOMMH-WZENYGAOSA-N
MW214.26 g/mol
LogP-1.59
Rot. Bonds1

About [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 107220773) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
PubChem CID107220773
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H18N2O3/c1-6-2-11-3-7(6)10(15)12-4-8(13)9(14)5-12/h6-9,11,13-14H,2-5H2,1H3/t6?,7?,8-,9+
InChIKeyJUADVYLZGJOMMH-WZENYGAOSA-N
XLogP-1.59
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107222989
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 114409389
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
(3-ethyl-4-methylpiperazin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714365
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 81103248
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (CID 107220773) is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is JUADVYLZGJOMMH-WZENYGAOSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-2-11-3-7(6)10(15)12-4-8(13)9(14)5-12/h6-9,11,13-14H,2-5H2,1H3/t6?,7?,8-,9+.
What are the key properties of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 107220773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).