butanoate;2-hydroxyethylazanium

C6H15NO3 — CID 87299516

IUPACbutanoate;2-hydroxyethylazanium
SMILESCCCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;3-1-2-4/h2-3H2,1H3,(H,5,6);4H,1-3H2
InChIKeyCCQULDDTNJZCBY-UHFFFAOYSA-N
MW149.19 g/mol
LogP-2.24
Rot. Bonds3

About butanoate;2-hydroxyethylazanium

butanoate;2-hydroxyethylazanium (PubChem CID 87299516) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is butanoate;2-hydroxyethylazanium.

Molecular Properties

Compound Namebutanoate;2-hydroxyethylazanium
PubChem CID87299516
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Namebutanoate;2-hydroxyethylazanium
SMILESCCCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;3-1-2-4/h2-3H2,1H3,(H,5,6);4H,1-3H2
InChIKeyCCQULDDTNJZCBY-UHFFFAOYSA-N
XLogP-2.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butanoate;2-hydroxyethylazanium?
The IUPAC name of butanoate;2-hydroxyethylazanium (CID 87299516) is butanoate;2-hydroxyethylazanium.
What is the SMILES notation for butanoate;2-hydroxyethylazanium?
The canonical SMILES for butanoate;2-hydroxyethylazanium is CCCC(=O)[O-].[NH3+]CCO.
What is the InChIKey of butanoate;2-hydroxyethylazanium?
The InChIKey is CCQULDDTNJZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H7NO/c1-2-3-4(5)6;3-1-2-4/h2-3H2,1H3,(H,5,6);4H,1-3H2.
What are the key properties of butanoate;2-hydroxyethylazanium?
butanoate;2-hydroxyethylazanium has a molecular weight of 149.19 g/mol, XLogP of -2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;2-hydroxyethylazanium is sourced from PubChem (CID 87299516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).