2-ethylbutanoate;3-methoxypropylazanium

C10H23NO3 — CID 142715460

IUPAC2-ethylbutanoate;3-methoxypropylazanium
SMILESCCC(CC)C(=O)[O-].COCCC[NH3+]
InChIInChI=1S/C6H12O2.C4H11NO/c1-3-5(4-2)6(7)8;1-6-4-2-3-5/h5H,3-4H2,1-2H3,(H,7,8);2-5H2,1H3
InChIKeyKHGOMKJMDBIIFK-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.56
Rot. Bonds6

About 2-ethylbutanoate;3-methoxypropylazanium

2-ethylbutanoate;3-methoxypropylazanium (PubChem CID 142715460) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethylbutanoate;3-methoxypropylazanium.

Molecular Properties

Compound Name2-ethylbutanoate;3-methoxypropylazanium
PubChem CID142715460
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-ethylbutanoate;3-methoxypropylazanium
SMILESCCC(CC)C(=O)[O-].COCCC[NH3+]
InChIInChI=1S/C6H12O2.C4H11NO/c1-3-5(4-2)6(7)8;1-6-4-2-3-5/h5H,3-4H2,1-2H3,(H,7,8);2-5H2,1H3
InChIKeyKHGOMKJMDBIIFK-UHFFFAOYSA-N
XLogP-0.56
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyacetate;3-methoxypropylazanium
CID 87766207
lithium 2-ethylbutanoate
CID 23681528
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
sodium 6-methoxy-2-propylhexanoate
CID 59946152
bis(2-methoxyethylazanium);carbonate
CID 141135297
2-(methoxymethyl)pentanoate
CID 19753396
2-ethyl-4-methoxy-4-oxobutanoate
CID 19842564
bis(2-ethylbutanoate);propanedial
CID 21247443
sodium 4-butoxycarbonyl-2-ethylhexanoate
CID 59938990
sodium 2-ethyl-6-methoxy-5-methyl-6-oxohexanoate
CID 22892683
sodium 2-(hydroxymethyl)butanoate
CID 23711714
disodium;1,2-dimethoxyethane;carbonate
CID 86669059

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanoate;3-methoxypropylazanium?
The IUPAC name of 2-ethylbutanoate;3-methoxypropylazanium (CID 142715460) is 2-ethylbutanoate;3-methoxypropylazanium.
What is the SMILES notation for 2-ethylbutanoate;3-methoxypropylazanium?
The canonical SMILES for 2-ethylbutanoate;3-methoxypropylazanium is CCC(CC)C(=O)[O-].COCCC[NH3+].
What is the InChIKey of 2-ethylbutanoate;3-methoxypropylazanium?
The InChIKey is KHGOMKJMDBIIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H11NO/c1-3-5(4-2)6(7)8;1-6-4-2-3-5/h5H,3-4H2,1-2H3,(H,7,8);2-5H2,1H3.
What are the key properties of 2-ethylbutanoate;3-methoxypropylazanium?
2-ethylbutanoate;3-methoxypropylazanium has a molecular weight of 205.30 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanoate;3-methoxypropylazanium is sourced from PubChem (CID 142715460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).