2-(2-aminoethyl)propane-1,3-diol

C5H13NO2 — CID 23009866

IUPAC2-(2-aminoethyl)propane-1,3-diol
SMILESNCCC(CO)CO
InChIInChI=1S/C5H13NO2/c6-2-1-5(3-7)4-8/h5,7-8H,1-4,6H2
InChIKeyVTYBYCXLGOZQPN-UHFFFAOYSA-N
MW119.16 g/mol
LogP-1.06
Rot. Bonds4

About 2-(2-aminoethyl)propane-1,3-diol

2-(2-aminoethyl)propane-1,3-diol (PubChem CID 23009866) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(2-aminoethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-aminoethyl)propane-1,3-diol
PubChem CID23009866
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-(2-aminoethyl)propane-1,3-diol
SMILESNCCC(CO)CO
InChIInChI=1S/C5H13NO2/c6-2-1-5(3-7)4-8/h5,7-8H,1-4,6H2
InChIKeyVTYBYCXLGOZQPN-UHFFFAOYSA-N
XLogP-1.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)propane-1,3-diol?
The IUPAC name of 2-(2-aminoethyl)propane-1,3-diol (CID 23009866) is 2-(2-aminoethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-aminoethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-aminoethyl)propane-1,3-diol is NCCC(CO)CO.
What is the InChIKey of 2-(2-aminoethyl)propane-1,3-diol?
The InChIKey is VTYBYCXLGOZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c6-2-1-5(3-7)4-8/h5,7-8H,1-4,6H2.
What are the key properties of 2-(2-aminoethyl)propane-1,3-diol?
2-(2-aminoethyl)propane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)propane-1,3-diol is sourced from PubChem (CID 23009866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).