3-[ethyl(hydroxy)amino]propane-1,1-diol

C5H13NO3 — CID 175013714

IUPAC3-[ethyl(hydroxy)amino]propane-1,1-diol
SMILESCCN(O)CCC(O)O
InChIInChI=1S/C5H13NO3/c1-2-6(9)4-3-5(7)8/h5,7-9H,2-4H2,1H3
InChIKeyJTGFBKCPOQQBIX-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.60
Rot. Bonds4

About 3-[ethyl(hydroxy)amino]propane-1,1-diol

3-[ethyl(hydroxy)amino]propane-1,1-diol (PubChem CID 175013714) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 3-[ethyl(hydroxy)amino]propane-1,1-diol.

Molecular Properties

Compound Name3-[ethyl(hydroxy)amino]propane-1,1-diol
PubChem CID175013714
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3-[ethyl(hydroxy)amino]propane-1,1-diol
SMILESCCN(O)CCC(O)O
InChIInChI=1S/C5H13NO3/c1-2-6(9)4-3-5(7)8/h5,7-9H,2-4H2,1H3
InChIKeyJTGFBKCPOQQBIX-UHFFFAOYSA-N
XLogP-0.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(hydroxy)amino]propane-1,1-diol?
The IUPAC name of 3-[ethyl(hydroxy)amino]propane-1,1-diol (CID 175013714) is 3-[ethyl(hydroxy)amino]propane-1,1-diol.
What is the SMILES notation for 3-[ethyl(hydroxy)amino]propane-1,1-diol?
The canonical SMILES for 3-[ethyl(hydroxy)amino]propane-1,1-diol is CCN(O)CCC(O)O.
What is the InChIKey of 3-[ethyl(hydroxy)amino]propane-1,1-diol?
The InChIKey is JTGFBKCPOQQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-2-6(9)4-3-5(7)8/h5,7-9H,2-4H2,1H3.
What are the key properties of 3-[ethyl(hydroxy)amino]propane-1,1-diol?
3-[ethyl(hydroxy)amino]propane-1,1-diol has a molecular weight of 135.16 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(hydroxy)amino]propane-1,1-diol is sourced from PubChem (CID 175013714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).