[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol

C10H19NO3 — CID 70919772

IUPAC[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](OC2CCCCO2)CN1
InChIInChI=1S/C10H19NO3/c12-7-8-5-9(6-11-8)14-10-3-1-2-4-13-10/h8-12H,1-7H2/t8-,9-,10?/m0/s1
InChIKeyDUMXOLBWSOIOFJ-XMCUXHSSSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds3

About [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol

[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol (PubChem CID 70919772) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol
PubChem CID70919772
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](OC2CCCCO2)CN1
InChIInChI=1S/C10H19NO3/c12-7-8-5-9(6-11-8)14-10-3-1-2-4-13-10/h8-12H,1-7H2/t8-,9-,10?/m0/s1
InChIKeyDUMXOLBWSOIOFJ-XMCUXHSSSA-N
XLogP0.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol (CID 70919772) is [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](OC2CCCCO2)CN1.
What is the InChIKey of [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol?
The InChIKey is DUMXOLBWSOIOFJ-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-8-5-9(6-11-8)14-10-3-1-2-4-13-10/h8-12H,1-7H2/t8-,9-,10?/m0/s1.
What are the key properties of [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol has a molecular weight of 201.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(oxan-2-yloxy)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70919772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).