2-hydroxyacetate;propan-2-ylazanium

C5H13NO3 — CID 139301574

IUPAC2-hydroxyacetate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])CO
InChIInChI=1S/C3H9N.C2H4O3/c1-3(2)4;3-1-2(4)5/h3H,4H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyXELATYKHOFURMV-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.63
Rot. Bonds1

About 2-hydroxyacetate;propan-2-ylazanium

2-hydroxyacetate;propan-2-ylazanium (PubChem CID 139301574) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-hydroxyacetate;propan-2-ylazanium.

Molecular Properties

Compound Name2-hydroxyacetate;propan-2-ylazanium
PubChem CID139301574
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-hydroxyacetate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])CO
InChIInChI=1S/C3H9N.C2H4O3/c1-3(2)4;3-1-2(4)5/h3H,4H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyXELATYKHOFURMV-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;propan-2-ylazanium?
The IUPAC name of 2-hydroxyacetate;propan-2-ylazanium (CID 139301574) is 2-hydroxyacetate;propan-2-ylazanium.
What is the SMILES notation for 2-hydroxyacetate;propan-2-ylazanium?
The canonical SMILES for 2-hydroxyacetate;propan-2-ylazanium is CC(C)[NH3+].O=C([O-])CO.
What is the InChIKey of 2-hydroxyacetate;propan-2-ylazanium?
The InChIKey is XELATYKHOFURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H4O3/c1-3(2)4;3-1-2(4)5/h3H,4H2,1-2H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;propan-2-ylazanium?
2-hydroxyacetate;propan-2-ylazanium 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-hydroxyacetate;propan-2-ylazanium is sourced from PubChem (CID 139301574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).