2-hydroxyacetate;3-methoxypropylazanium

C6H15NO4 — CID 87766207

IUPAC2-hydroxyacetate;3-methoxypropylazanium
SMILESCOCCC[NH3+].O=C([O-])CO
InChIInChI=1S/C4H11NO.C2H4O3/c1-6-4-2-3-5;3-1-2(4)5/h2-5H2,1H3;3H,1H2,(H,4,5)
InChIKeyYBBWFXOBKZLPBJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP-3.01
Rot. Bonds4

About 2-hydroxyacetate;3-methoxypropylazanium

2-hydroxyacetate;3-methoxypropylazanium (PubChem CID 87766207) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-hydroxyacetate;3-methoxypropylazanium.

Molecular Properties

Compound Name2-hydroxyacetate;3-methoxypropylazanium
PubChem CID87766207
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name2-hydroxyacetate;3-methoxypropylazanium
SMILESCOCCC[NH3+].O=C([O-])CO
InChIInChI=1S/C4H11NO.C2H4O3/c1-6-4-2-3-5;3-1-2(4)5/h2-5H2,1H3;3H,1H2,(H,4,5)
InChIKeyYBBWFXOBKZLPBJ-UHFFFAOYSA-N
XLogP-3.01
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-3.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylbutanoate;3-methoxypropylazanium
CID 142715460
bis(2-methoxyethylazanium);carbonate
CID 141135297
bis(2-methoxyethyl)azanium;2-hydroxyacetate
CID 87300456
dodecylazanium;2-hydroxyacetate
CID 19892967
5-methoxypentan-2-one acetate
CID 123446374
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
2-hydroxyacetate
CID 5460308
1,8-dimethoxyoctane-4,5-dione
CID 139993978
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
zinc bis(2-hydroxyacetate)
CID 15245444
dipotassium bis(2-hydroxyacetate)
CID 140653272
2-hydroxyacetate;iron(2+)
CID 18504415

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;3-methoxypropylazanium?
The IUPAC name of 2-hydroxyacetate;3-methoxypropylazanium (CID 87766207) is 2-hydroxyacetate;3-methoxypropylazanium.
What is the SMILES notation for 2-hydroxyacetate;3-methoxypropylazanium?
The canonical SMILES for 2-hydroxyacetate;3-methoxypropylazanium is COCCC[NH3+].O=C([O-])CO.
What is the InChIKey of 2-hydroxyacetate;3-methoxypropylazanium?
The InChIKey is YBBWFXOBKZLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H4O3/c1-6-4-2-3-5;3-1-2(4)5/h2-5H2,1H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;3-methoxypropylazanium?
2-hydroxyacetate;3-methoxypropylazanium has a molecular weight of 165.19 g/mol, XLogP of -3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;3-methoxypropylazanium is sourced from PubChem (CID 87766207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).