2-amino-2-ethylpropane-1,3-diol

C5H13NO2 — CID 8282

IUPAC2-amino-2-ethylpropane-1,3-diol
SMILESCCC(N)(CO)CO
InChIInChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3
InChIKeyIOAOAKDONABGPZ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds3

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

2-amino-2-ethylpropane-1,3-diol (PubChem CID 8282) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-amino-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-ethylpropane-1,3-diol
PubChem CID8282
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-amino-2-ethylpropane-1,3-diol
SMILESCCC(N)(CO)CO
InChIInChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3
InChIKeyIOAOAKDONABGPZ-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylpropane-1,3-diol?
The IUPAC name of 2-amino-2-ethylpropane-1,3-diol (CID 8282) is 2-amino-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-ethylpropane-1,3-diol is CCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-ethylpropane-1,3-diol?
The InChIKey is IOAOAKDONABGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3.
What are the key properties of 2-amino-2-ethylpropane-1,3-diol?
2-amino-2-ethylpropane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylpropane-1,3-diol is sourced from PubChem (CID 8282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).