[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone

C10H18N2O2 — CID 130877437

IUPAC[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2C[C@@H](O)CN2)C1
InChIInChI=1S/C10H18N2O2/c1-7-2-3-12(6-7)10(14)9-4-8(13)5-11-9/h7-9,11,13H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyQVGARNZCZOIICH-CFCGPWAMSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds1

About [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 130877437) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID130877437
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2C[C@@H](O)CN2)C1
InChIInChI=1S/C10H18N2O2/c1-7-2-3-12(6-7)10(14)9-4-8(13)5-11-9/h7-9,11,13H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyQVGARNZCZOIICH-CFCGPWAMSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 62332502
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
CID 54872034
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 130877437) is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)[C@H]2C[C@@H](O)CN2)C1.
What is the InChIKey of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QVGARNZCZOIICH-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-2-3-12(6-7)10(14)9-4-8(13)5-11-9/h7-9,11,13H,2-6H2,1H3/t7?,8-,9-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 130877437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).