2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol

C6H14N2O3 — CID 166664755

IUPAC2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol
SMILESNC(CO)C(O)C1NCCO1
InChIInChI=1S/C6H14N2O3/c7-4(3-9)5(10)6-8-1-2-11-6/h4-6,8-10H,1-3,7H2
InChIKeyOAYZIYPGXWBZOR-UHFFFAOYSA-N
MW162.19 g/mol
LogP-2.39
Rot. Bonds3

About 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol

2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol (PubChem CID 166664755) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol
PubChem CID166664755
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol
SMILESNC(CO)C(O)C1NCCO1
InChIInChI=1S/C6H14N2O3/c7-4(3-9)5(10)6-8-1-2-11-6/h4-6,8-10H,1-3,7H2
InChIKeyOAYZIYPGXWBZOR-UHFFFAOYSA-N
XLogP-2.39
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol (CID 166664755) is 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol is NC(CO)C(O)C1NCCO1.
What is the InChIKey of 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol?
The InChIKey is OAYZIYPGXWBZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-4(3-9)5(10)6-8-1-2-11-6/h4-6,8-10H,1-3,7H2.
What are the key properties of 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol?
2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol has a molecular weight of 162.19 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-oxazolidin-2-yl)propane-1,3-diol is sourced from PubChem (CID 166664755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).