2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine

C7H18N2O3 — CID 146450913

IUPAC2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine
SMILESC1COCN1.CC(N)(CO)CO
InChIInChI=1S/C4H11NO2.C3H7NO/c1-4(5,2-6)3-7;1-2-5-3-4-1/h6-7H,2-3,5H2,1H3;4H,1-3H2
InChIKeyPGYFLBVJFUUJJG-UHFFFAOYSA-N
MW178.23 g/mol
LogP-1.75
Rot. Bonds2

About 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine

2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine (PubChem CID 146450913) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine
PubChem CID146450913
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine
SMILESC1COCN1.CC(N)(CO)CO
InChIInChI=1S/C4H11NO2.C3H7NO/c1-4(5,2-6)3-7;1-2-5-3-4-1/h6-7H,2-3,5H2,1H3;4H,1-3H2
InChIKeyPGYFLBVJFUUJJG-UHFFFAOYSA-N
XLogP-1.75
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine (CID 146450913) is 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine is C1COCN1.CC(N)(CO)CO.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine?
The InChIKey is PGYFLBVJFUUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H7NO/c1-4(5,2-6)3-7;1-2-5-3-4-1/h6-7H,2-3,5H2,1H3;4H,1-3H2.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine?
2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine has a molecular weight of 178.23 g/mol, XLogP of -1.75, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;1,3-oxazolidine is sourced from PubChem (CID 146450913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).