2-hydroxypropylazanium acetate

C5H13NO3 — CID 22134549

IUPAC2-hydroxypropylazanium acetate
SMILESCC(=O)[O-].CC(O)C[NH3+]
InChIInChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyPXSKFKIKNKEATE-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.63
Rot. Bonds1

About 2-hydroxypropylazanium acetate

2-hydroxypropylazanium acetate (PubChem CID 22134549) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-hydroxypropylazanium acetate.

Molecular Properties

Compound Name2-hydroxypropylazanium acetate
PubChem CID22134549
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-hydroxypropylazanium acetate
SMILESCC(=O)[O-].CC(O)C[NH3+]
InChIInChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyPXSKFKIKNKEATE-UHFFFAOYSA-N
XLogP-2.63
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methylazanium;propane-1,2-diol;acetate
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sodium;propane-1,2-diol;acetate
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sodium;propane-1,2-diol;acetate;trihydrate
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propan-2-ylazanium acetate
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disodium bis(3-hydroxybutanoate)
CID 140970617
potassium (3R)-3-hydroxybutanoate
CID 23704427
2-hydroxypropanoate;iridium(3+);acetate
CID 157323915
2-hydroxypropanoate;oxoazanium;acetate
CID 140813979
sodium;acetic acid;propan-2-ol;acetate
CID 161389627
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
diazanium;propan-2-olate;acetate
CID 141066617
phosphanylphosphanium acetate
CID 162334335

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropylazanium acetate?
The IUPAC name of 2-hydroxypropylazanium acetate (CID 22134549) is 2-hydroxypropylazanium acetate.
What is the SMILES notation for 2-hydroxypropylazanium acetate?
The canonical SMILES for 2-hydroxypropylazanium acetate is CC(=O)[O-].CC(O)C[NH3+].
What is the InChIKey of 2-hydroxypropylazanium acetate?
The InChIKey is PXSKFKIKNKEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H4O2/c1-3(5)2-4;1-2(3)4/h3,5H,2,4H2,1H3;1H3,(H,3,4).
What are the key properties of 2-hydroxypropylazanium acetate?
2-hydroxypropylazanium acetate has a molecular weight of 135.16 g/mol, XLogP of -2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropylazanium acetate is sourced from PubChem (CID 22134549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).