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

C4H11NO2 — CID 1531

IUPAC2-amino-2-methylpropane-1,3-diol
SMILESCC(N)(CO)CO
InChIInChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKeyUXFQFBNBSPQBJW-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.31
Rot. Bonds2

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

2-amino-2-methylpropane-1,3-diol (PubChem CID 1531) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol
PubChem CID1531
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-amino-2-methylpropane-1,3-diol
SMILESCC(N)(CO)CO
InChIInChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKeyUXFQFBNBSPQBJW-UHFFFAOYSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol (CID 1531) is 2-amino-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol is CC(N)(CO)CO.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol?
The InChIKey is UXFQFBNBSPQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol?
2-amino-2-methylpropane-1,3-diol has a molecular weight of 105.14 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol is sourced from PubChem (CID 1531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).