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

C10H16N2O6 — CID 174154641

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

3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one (PubChem CID 174154641) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 174154641
• Molecular Formula: C10H16N2O6
• Molecular Weight: 260.25 g/mol
• Exact Mass: 260.10
• IUPAC Name: 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one
• SMILES: NCC12COC(O1)C(N1CCOC1=O)[C@@H](O)[C@H]2O
• InChI: 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
• InChIKey: GNXMIHGHEAVZOC-SROCTUJZSA-N
• XLogP: -2.39
• TPSA: 114.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.25
LogP ≤ 5	-2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one (CID 174154641) is 3-[(2R,3R)-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-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one is NCC12COC(O1)C(N1CCOC1=O)[C@@H](O)[C@H]2O.

What is the InChIKey of 3-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is GNXMIHGHEAVZOC-SROCTUJZSA-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-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one?

3-[(2R,3R)-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-[(2R,3R)-1-(aminomethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 174154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).