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

C6H15NO3 — CID 174693876

IUPAC3-[hydroxy(propyl)amino]propane-1,1-diol
SMILESCCCN(O)CCC(O)O
InChIInChI=1S/C6H15NO3/c1-2-4-7(10)5-3-6(8)9/h6,8-10H,2-5H2,1H3
InChIKeyOOWFPPGZENDSQK-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.21
Rot. Bonds5

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

3-[hydroxy(propyl)amino]propane-1,1-diol (PubChem CID 174693876) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-[hydroxy(propyl)amino]propane-1,1-diol.

Molecular Properties

Compound Name3-[hydroxy(propyl)amino]propane-1,1-diol
PubChem CID174693876
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name3-[hydroxy(propyl)amino]propane-1,1-diol
SMILESCCCN(O)CCC(O)O
InChIInChI=1S/C6H15NO3/c1-2-4-7(10)5-3-6(8)9/h6,8-10H,2-5H2,1H3
InChIKeyOOWFPPGZENDSQK-UHFFFAOYSA-N
XLogP-0.21
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.21
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-[hydroxy(propyl)amino]propane-1,1-diol?
The IUPAC name of 3-[hydroxy(propyl)amino]propane-1,1-diol (CID 174693876) is 3-[hydroxy(propyl)amino]propane-1,1-diol.
What is the SMILES notation for 3-[hydroxy(propyl)amino]propane-1,1-diol?
The canonical SMILES for 3-[hydroxy(propyl)amino]propane-1,1-diol is CCCN(O)CCC(O)O.
What is the InChIKey of 3-[hydroxy(propyl)amino]propane-1,1-diol?
The InChIKey is OOWFPPGZENDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-2-4-7(10)5-3-6(8)9/h6,8-10H,2-5H2,1H3.
What are the key properties of 3-[hydroxy(propyl)amino]propane-1,1-diol?
3-[hydroxy(propyl)amino]propane-1,1-diol has a molecular weight of 149.19 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(propyl)amino]propane-1,1-diol is sourced from PubChem (CID 174693876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).