(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C10H18N2O3 — CID 25338247

IUPAC(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESN[C@H]1[C@H](O)[C@@H](N2CCCC2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C10H18N2O3/c11-7-6-5-14-10(15-6)8(9(7)13)12-3-1-2-4-12/h6-10,13H,1-5,11H2/t6-,7-,8-,9+,10-/m1/s1
InChIKeyKKSIQJPREBBKBQ-GRDBIXFFSA-N
MW214.26 g/mol
LogP-1.11
Rot. Bonds1

About (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 25338247) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID25338247
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESN[C@H]1[C@H](O)[C@@H](N2CCCC2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C10H18N2O3/c11-7-6-5-14-10(15-6)8(9(7)13)12-3-1-2-4-12/h6-10,13H,1-5,11H2/t6-,7-,8-,9+,10-/m1/s1
InChIKeyKKSIQJPREBBKBQ-GRDBIXFFSA-N
XLogP-1.11
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 25338247) is (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is N[C@H]1[C@H](O)[C@@H](N2CCCC2)[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is KKSIQJPREBBKBQ-GRDBIXFFSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-7-6-5-14-10(15-6)8(9(7)13)12-3-1-2-4-12/h6-10,13H,1-5,11H2/t6-,7-,8-,9+,10-/m1/s1.
What are the key properties of (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 214.26 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 25338247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).