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

C4H11NO2 — CID 20545753

IUPAC2-(methylamino)propane-1,3-diol
SMILESCNC(CO)CO
InChIInChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3
InChIKeyYMFOWIJFFPALOW-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.44
Rot. Bonds3

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

2-(methylamino)propane-1,3-diol (PubChem CID 20545753) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-(methylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(methylamino)propane-1,3-diol
PubChem CID20545753
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-(methylamino)propane-1,3-diol
SMILESCNC(CO)CO
InChIInChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3
InChIKeyYMFOWIJFFPALOW-UHFFFAOYSA-N
XLogP-1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)propane-1,3-diol?
The IUPAC name of 2-(methylamino)propane-1,3-diol (CID 20545753) is 2-(methylamino)propane-1,3-diol.
What is the SMILES notation for 2-(methylamino)propane-1,3-diol?
The canonical SMILES for 2-(methylamino)propane-1,3-diol is CNC(CO)CO.
What is the InChIKey of 2-(methylamino)propane-1,3-diol?
The InChIKey is YMFOWIJFFPALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3.
What are the key properties of 2-(methylamino)propane-1,3-diol?
2-(methylamino)propane-1,3-diol has a molecular weight of 105.14 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)propane-1,3-diol is sourced from PubChem (CID 20545753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).