ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal

C10H25NO4 — CID 143328308

IUPACethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal
SMILESCC.CCC=O.CNC(CO)(CO)CO
InChIInChI=1S/C5H13NO3.C3H6O.C2H6/c1-6-5(2-7,3-8)4-9;1-2-3-4;1-2/h6-9H,2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyOVQUAPVXLWGZOB-UHFFFAOYSA-N
MW223.31 g/mol
LogP-0.46
Rot. Bonds5

About ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal

ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal (PubChem CID 143328308) has the molecular formula C10H25NO4 and a molecular weight of 223.31 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal
PubChem CID143328308
Molecular FormulaC10H25NO4
Molecular Weight223.31 g/mol
Exact Mass223.18
IUPAC Nameethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal
SMILESCC.CCC=O.CNC(CO)(CO)CO
InChIInChI=1S/C5H13NO3.C3H6O.C2H6/c1-6-5(2-7,3-8)4-9;1-2-3-4;1-2/h6-9H,2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyOVQUAPVXLWGZOB-UHFFFAOYSA-N
XLogP-0.46
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal?
The IUPAC name of ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal (CID 143328308) is ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal.
What is the SMILES notation for ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal?
The canonical SMILES for ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal is CC.CCC=O.CNC(CO)(CO)CO.
What is the InChIKey of ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal?
The InChIKey is OVQUAPVXLWGZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3.C3H6O.C2H6/c1-6-5(2-7,3-8)4-9;1-2-3-4;1-2/h6-9H,2-4H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal?
ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal has a molecular weight of 223.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)-2-(methylamino)propane-1,3-diol;propanal is sourced from PubChem (CID 143328308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).