2-hydroxyacetate;tri(propan-2-yl)azanium

C11H25NO3 — CID 139301397

IUPAC2-hydroxyacetate;tri(propan-2-yl)azanium
SMILESCC(C)[NH+](C(C)C)C(C)C.O=C([O-])CO
InChIInChI=1S/C9H21N.C2H4O3/c1-7(2)10(8(3)4)9(5)6;3-1-2(4)5/h7-9H,1-6H3;3H,1H2,(H,4,5)
InChIKeyZXULGDYJLWQOOM-UHFFFAOYSA-N
MW219.32 g/mol
LogP-1.17
Rot. Bonds4

About 2-hydroxyacetate;tri(propan-2-yl)azanium

2-hydroxyacetate;tri(propan-2-yl)azanium (PubChem CID 139301397) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-hydroxyacetate;tri(propan-2-yl)azanium.

Molecular Properties

Compound Name2-hydroxyacetate;tri(propan-2-yl)azanium
PubChem CID139301397
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-hydroxyacetate;tri(propan-2-yl)azanium
SMILESCC(C)[NH+](C(C)C)C(C)C.O=C([O-])CO
InChIInChI=1S/C9H21N.C2H4O3/c1-7(2)10(8(3)4)9(5)6;3-1-2(4)5/h7-9H,1-6H3;3H,1H2,(H,4,5)
InChIKeyZXULGDYJLWQOOM-UHFFFAOYSA-N
XLogP-1.17
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyacetate
CID 5460308
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
zinc bis(2-hydroxyacetate)
CID 15245444
2-hydroxyacetate;iron(2+)
CID 18504415
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
azanium;2-hydroxyacetate;titanium
CID 173336650
magnesium;2-hydroxyacetate;chloride
CID 18799087
bis(2-hydroxyacetate);titanium(2+);dihydrate
CID 87109792
dimethyl(propan-2-yl)azanium acetate
CID 22134361
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;tri(propan-2-yl)azanium?
The IUPAC name of 2-hydroxyacetate;tri(propan-2-yl)azanium (CID 139301397) is 2-hydroxyacetate;tri(propan-2-yl)azanium.
What is the SMILES notation for 2-hydroxyacetate;tri(propan-2-yl)azanium?
The canonical SMILES for 2-hydroxyacetate;tri(propan-2-yl)azanium is CC(C)[NH+](C(C)C)C(C)C.O=C([O-])CO.
What is the InChIKey of 2-hydroxyacetate;tri(propan-2-yl)azanium?
The InChIKey is ZXULGDYJLWQOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H4O3/c1-7(2)10(8(3)4)9(5)6;3-1-2(4)5/h7-9H,1-6H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;tri(propan-2-yl)azanium?
2-hydroxyacetate;tri(propan-2-yl)azanium has a molecular weight of 219.32 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;tri(propan-2-yl)azanium is sourced from PubChem (CID 139301397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).