2-hydroxypropanoate;tetrabutylazanium

C19H41NO3 — CID 15404302

IUPAC2-hydroxypropanoate;tetrabutylazanium
SMILESCC(O)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C3H6O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(4)3(5)6/h5-16H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyMSLTZKLJPHUCPU-UHFFFAOYSA-M
MW331.54 g/mol
LogP3.12
Rot. Bonds13

About 2-hydroxypropanoate;tetrabutylazanium

2-hydroxypropanoate;tetrabutylazanium (PubChem CID 15404302) has the molecular formula C19H41NO3 and a molecular weight of 331.54 g/mol. Its IUPAC name is 2-hydroxypropanoate;tetrabutylazanium.

Molecular Properties

Compound Name2-hydroxypropanoate;tetrabutylazanium
PubChem CID15404302
Molecular FormulaC19H41NO3
Molecular Weight331.54 g/mol
Exact Mass331.31
IUPAC Name2-hydroxypropanoate;tetrabutylazanium
SMILESCC(O)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C3H6O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(4)3(5)6/h5-16H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyMSLTZKLJPHUCPU-UHFFFAOYSA-M
XLogP3.12
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(tetrabutylazanium);carbonate
CID 14746847
2,3-dihydroxybutanedioate;bis(octadecyl(tripropyl)azanium)
CID 144564177
dodecylazanium;2-hydroxypropanoate
CID 53471559
bis(tributyl(2-methylpropyl)azanium);carbonate
CID 175421775
(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
CID 129151381
2,3-dihydroxybutanedioic acid;tetrabutylazanium
CID 87904025
2-hydroxybutanedioate;bis(tributyl(2-hydroxyethyl)azanium)
CID 142691420
dibutyl-bis(3-hydroxybutyl)azanium
CID 22005942
bis(butyl(triethyl)azanium);carbonate
CID 87364297
potassium;(E)-but-2-enedioate;tetrabutylazanium
CID 87375823
2-hydroxypropanoate;tritriacontan-17-ylazanium
CID 139671154
(2S)-2,4-diamino-4-oxobutanoate;tetrabutylazanium
CID 155818037

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;tetrabutylazanium?
The IUPAC name of 2-hydroxypropanoate;tetrabutylazanium (CID 15404302) is 2-hydroxypropanoate;tetrabutylazanium.
What is the SMILES notation for 2-hydroxypropanoate;tetrabutylazanium?
The canonical SMILES for 2-hydroxypropanoate;tetrabutylazanium is CC(O)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of 2-hydroxypropanoate;tetrabutylazanium?
The InChIKey is MSLTZKLJPHUCPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C3H6O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(4)3(5)6/h5-16H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-hydroxypropanoate;tetrabutylazanium?
2-hydroxypropanoate;tetrabutylazanium has a molecular weight of 331.54 g/mol, XLogP of 3.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;tetrabutylazanium is sourced from PubChem (CID 15404302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).