3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one

C10H16N2O6 — CID 167524364

IUPAC3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one
SMILESNC[C@@]12COC(O1)[C@H](N1CCOC1=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C10H16N2O6/c11-3-10-4-17-8(18-10)5(6(13)7(10)14)12-1-2-16-9(12)15/h5-8,13-14H,1-4,11H2/t5-,6-,7-,8?,10+/m1/s1
InChIKeyGNXMIHGHEAVZOC-GBKANQOBSA-N
MW260.25 g/mol
LogP-2.39
Rot. Bonds2

About 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one

3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one (PubChem CID 167524364) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one
PubChem CID167524364
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one
SMILESNC[C@@]12COC(O1)[C@H](N1CCOC1=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C10H16N2O6/c11-3-10-4-17-8(18-10)5(6(13)7(10)14)12-1-2-16-9(12)15/h5-8,13-14H,1-4,11H2/t5-,6-,7-,8?,10+/m1/s1
InChIKeyGNXMIHGHEAVZOC-GBKANQOBSA-N
XLogP-2.39
TPSA114.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one (CID 167524364) is 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one is NC[C@@]12COC(O1)[C@H](N1CCOC1=O)[C@@H](O)[C@H]2O.
What is the InChIKey of 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GNXMIHGHEAVZOC-GBKANQOBSA-N. The full InChI is InChI=1S/C10H16N2O6/c11-3-10-4-17-8(18-10)5(6(13)7(10)14)12-1-2-16-9(12)15/h5-8,13-14H,1-4,11H2/t5-,6-,7-,8?,10+/m1/s1.
What are the key properties of 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?
3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 260.25 g/mol, XLogP of -2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,3R,4R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167524364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).