2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol

C16H31NO4 — CID 106993190

IUPAC2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOCC(C)OCC(O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C16H31NO4/c1-12(10-20-2)21-11-13(18)9-17-8-4-6-15(17)14-5-3-7-16(14)19/h12-16,18-19H,3-11H2,1-2H3
InChIKeyWNKAJLWXUZHARQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.02
Rot. Bonds8

About 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 106993190) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID106993190
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOCC(C)OCC(O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C16H31NO4/c1-12(10-20-2)21-11-13(18)9-17-8-4-6-15(17)14-5-3-7-16(14)19/h12-16,18-19H,3-11H2,1-2H3
InChIKeyWNKAJLWXUZHARQ-UHFFFAOYSA-N
XLogP1.02
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 106993190) is 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol is COCC(C)OCC(O)CN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is WNKAJLWXUZHARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-12(10-20-2)21-11-13(18)9-17-8-4-6-15(17)14-5-3-7-16(14)19/h12-16,18-19H,3-11H2,1-2H3.
What are the key properties of 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 301.43 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 106993190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).