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

C5H13NO3 — CID 15034945

IUPAC3-(2-hydroxyethylamino)propane-1,2-diol
SMILESOCCNCC(O)CO
InChIInChI=1S/C5H13NO3/c7-2-1-6-3-5(9)4-8/h5-9H,1-4H2
InChIKeyWDMIBBXCJKNKPN-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.08
Rot. Bonds5

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

3-(2-hydroxyethylamino)propane-1,2-diol (PubChem CID 15034945) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)propane-1,2-diol
PubChem CID15034945
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3-(2-hydroxyethylamino)propane-1,2-diol
SMILESOCCNCC(O)CO
InChIInChI=1S/C5H13NO3/c7-2-1-6-3-5(9)4-8/h5-9H,1-4H2
InChIKeyWDMIBBXCJKNKPN-UHFFFAOYSA-N
XLogP-2.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diisopropanolamine
CID 8086
Pyrrolidine-3,4-diol
CID 13329881
3-(Methylamino)propane-1,2-diol
CID 2734122
3-Isopropylamino-1,2-propanediol
CID 110857
3-((2-Hydroxyethyl)amino)propanol
CID 3015059
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177
1,4-Dideoxy-1,4-iminothreitol
CID 146198
(2-Hydroxy-3-methoxypropyl)(methyl)amine
CID 20789163
3-Tert-butylamino-1,2-propanediol
CID 90831
(S)-3-(tert-Butylamino)propane-1,2-diol
CID 2733671
1-(Ethylamino)propan-2-ol
CID 3016164
(3R,4S)-pyrrolidine-3,4-diol
CID 13329882

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)propane-1,2-diol?
The IUPAC name of 3-(2-hydroxyethylamino)propane-1,2-diol (CID 15034945) is 3-(2-hydroxyethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-hydroxyethylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-hydroxyethylamino)propane-1,2-diol is OCCNCC(O)CO.
What is the InChIKey of 3-(2-hydroxyethylamino)propane-1,2-diol?
The InChIKey is WDMIBBXCJKNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c7-2-1-6-3-5(9)4-8/h5-9H,1-4H2.
What are the key properties of 3-(2-hydroxyethylamino)propane-1,2-diol?
3-(2-hydroxyethylamino)propane-1,2-diol has a molecular weight of 135.16 g/mol, XLogP of -2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)propane-1,2-diol is sourced from PubChem (CID 15034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).