3-aminopropane-1,2-diol;hydrate

C3H11NO3 — CID 173080490

IUPAC3-aminopropane-1,2-diol;hydrate
SMILESNCC(O)CO.O
InChIInChI=1S/C3H9NO2.H2O/c4-1-3(6)2-5;/h3,5-6H,1-2,4H2;1H2
InChIKeyZBQYHSDRFDWFQN-UHFFFAOYSA-N
MW109.12 g/mol
LogP-2.53
Rot. Bonds2

About 3-aminopropane-1,2-diol;hydrate

3-aminopropane-1,2-diol;hydrate (PubChem CID 173080490) has the molecular formula C3H11NO3 and a molecular weight of 109.12 g/mol. Its IUPAC name is 3-aminopropane-1,2-diol;hydrate.

Molecular Properties

Compound Name3-aminopropane-1,2-diol;hydrate
PubChem CID173080490
Molecular FormulaC3H11NO3
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name3-aminopropane-1,2-diol;hydrate
SMILESNCC(O)CO.O
InChIInChI=1S/C3H9NO2.H2O/c4-1-3(6)2-5;/h3,5-6H,1-2,4H2;1H2
InChIKeyZBQYHSDRFDWFQN-UHFFFAOYSA-N
XLogP-2.53
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropane-1,2-diol;hydrate?
The IUPAC name of 3-aminopropane-1,2-diol;hydrate (CID 173080490) is 3-aminopropane-1,2-diol;hydrate.
What is the SMILES notation for 3-aminopropane-1,2-diol;hydrate?
The canonical SMILES for 3-aminopropane-1,2-diol;hydrate is NCC(O)CO.O.
What is the InChIKey of 3-aminopropane-1,2-diol;hydrate?
The InChIKey is ZBQYHSDRFDWFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2.H2O/c4-1-3(6)2-5;/h3,5-6H,1-2,4H2;1H2.
What are the key properties of 3-aminopropane-1,2-diol;hydrate?
3-aminopropane-1,2-diol;hydrate has a molecular weight of 109.12 g/mol, XLogP of -2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropane-1,2-diol;hydrate is sourced from PubChem (CID 173080490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).