(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C10H18N2O3 — CID 103355814

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C10H18N2O3/c1-10(15)2-3-12(6-10)9(14)8-4-7(13)5-11-8/h7-8,11,13,15H,2-6H2,1H3
InChIKeyXSGAXQAESMKPDF-UHFFFAOYSA-N
MW214.26 g/mol
LogP-1.31
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 103355814) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID103355814
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C10H18N2O3/c1-10(15)2-3-12(6-10)9(14)8-4-7(13)5-11-8/h7-8,11,13,15H,2-6H2,1H3
InChIKeyXSGAXQAESMKPDF-UHFFFAOYSA-N
XLogP-1.31
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 ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 103355814) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is CC1(O)CCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is XSGAXQAESMKPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(15)2-3-12(6-10)9(14)8-4-7(13)5-11-8/h7-8,11,13,15H,2-6H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 103355814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).