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

C6H15NO3 — CID 118527110

IUPAC2-(2-aminoethoxymethyl)propane-1,3-diol
SMILESNCCOCC(CO)CO
InChIInChI=1S/C6H15NO3/c7-1-2-10-5-6(3-8)4-9/h6,8-9H,1-5,7H2
InChIKeyJGZHDTNCIGXVAC-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.44
Rot. Bonds6

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

2-(2-aminoethoxymethyl)propane-1,3-diol (PubChem CID 118527110) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(2-aminoethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-aminoethoxymethyl)propane-1,3-diol
PubChem CID118527110
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-(2-aminoethoxymethyl)propane-1,3-diol
SMILESNCCOCC(CO)CO
InChIInChI=1S/C6H15NO3/c7-1-2-10-5-6(3-8)4-9/h6,8-9H,1-5,7H2
InChIKeyJGZHDTNCIGXVAC-UHFFFAOYSA-N
XLogP-1.44
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(2-aminoethoxymethyl)propane-1,3-diol (CID 118527110) is 2-(2-aminoethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-aminoethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-aminoethoxymethyl)propane-1,3-diol is NCCOCC(CO)CO.
What is the InChIKey of 2-(2-aminoethoxymethyl)propane-1,3-diol?
The InChIKey is JGZHDTNCIGXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c7-1-2-10-5-6(3-8)4-9/h6,8-9H,1-5,7H2.
What are the key properties of 2-(2-aminoethoxymethyl)propane-1,3-diol?
2-(2-aminoethoxymethyl)propane-1,3-diol has a molecular weight of 149.19 g/mol, XLogP of -1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 118527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).