(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium

C19H42N2O3 — CID 129151381

IUPAC(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.N[C@@H](CO)C(=O)[O-]
InChIInChI=1S/C16H36N.C3H7NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2(1-5)3(6)7/h5-16H2,1-4H3;2,5H,1,4H2,(H,6,7)/q+1;/p-1/t;2-/m.0/s1
InChIKeyZEDIFHSUYXCZEI-WNQIDUERSA-M
MW346.56 g/mol
LogP2.06
Rot. Bonds14

About (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium

(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium (PubChem CID 129151381) has the molecular formula C19H42N2O3 and a molecular weight of 346.56 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
PubChem CID129151381
Molecular FormulaC19H42N2O3
Molecular Weight346.56 g/mol
Exact Mass346.32
IUPAC Name(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.N[C@@H](CO)C(=O)[O-]
InChIInChI=1S/C16H36N.C3H7NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2(1-5)3(6)7/h5-16H2,1-4H3;2,5H,1,4H2,(H,6,7)/q+1;/p-1/t;2-/m.0/s1
InChIKeyZEDIFHSUYXCZEI-WNQIDUERSA-M
XLogP2.06
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,4-diamino-4-oxobutanoate;tetrabutylazanium
CID 155818037
bis(tetrabutylazanium);carbonate
CID 14746847
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
2-hydroxypropanoate;tetrabutylazanium
CID 15404302
2-amino-4-methylsulfanylbutanoate;tetrahexylazanium
CID 23277407
sodium 2-amino-3-hydroxypropanoate
CID 23676048
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
(2S)-2-amino-3-hydroxypropanoate;2-hydroxyethyl(trimethyl)azanium
CID 87276262
tetrabutylazanium;urea;bromide
CID 158111645
2-amino-2-phenylacetate;tetrabutylazanium
CID 141256319
lithium 2-aminohexanoate
CID 162134290
2-amino-2-(4-hydroxyphenyl)acetate;tetrabutylazanium
CID 172680279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium (CID 129151381) is (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.N[C@@H](CO)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium?
The InChIKey is ZEDIFHSUYXCZEI-WNQIDUERSA-M. The full InChI is InChI=1S/C16H36N.C3H7NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2(1-5)3(6)7/h5-16H2,1-4H3;2,5H,1,4H2,(H,6,7)/q+1;/p-1/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium?
(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium has a molecular weight of 346.56 g/mol, XLogP of 2.06, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium is sourced from PubChem (CID 129151381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).