[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium

C12H28N2O5+2 — CID 173359091

IUPAC[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC(=O)O.C[N+](C)(C)CC[C@@H](O)C(=O)O
InChIInChI=1S/C7H15NO3.C5H11NO2/c1-8(2,3)5-4-6(9)7(10)11;1-6(2,3)4-5(7)8/h6,9H,4-5H2,1-3H3;4H2,1-3H3/p+2/t6-;/m1./s1
InChIKeyCCSBUTGRZGGSPE-FYZOBXCZSA-P
MW280.37 g/mol
LogP-0.69
Rot. Bonds6

About [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium

[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium (PubChem CID 173359091) has the molecular formula C12H28N2O5+2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium.

Molecular Properties

Compound Name[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium
PubChem CID173359091
Molecular FormulaC12H28N2O5+2
Molecular Weight280.37 g/mol
Exact Mass280.20
IUPAC Name[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC(=O)O.C[N+](C)(C)CC[C@@H](O)C(=O)O
InChIInChI=1S/C7H15NO3.C5H11NO2/c1-8(2,3)5-4-6(9)7(10)11;1-6(2,3)4-5(7)8/h6,9H,4-5H2,1-3H3;4H2,1-3H3/p+2/t6-;/m1./s1
InChIKeyCCSBUTGRZGGSPE-FYZOBXCZSA-P
XLogP-0.69
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dihydroxyhexanoic acid
CID 18424665
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
carboxymethyl-(3-chloro-2-hydroxypropyl)-dimethylazanium
CID 19797980
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
carboxymethyl(trimethyl)azanium;pyridine
CID 173162206
3,3-dihydroxypropyl(trimethyl)azanium bromide
CID 174814493
3-hydroxybutyl(trimethyl)azanium hydroxide
CID 22731873
carboxymethyl(trimethyl)azanium;3-hydroxypropyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
CID 173287964
(3-acetyloxy-3-carboxypropyl)-trimethylazanium
CID 174238274
2-hydroxy-4-phosphonobutanoic acid;methanol
CID 175009801
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
(2R)-2-hydroxyhexanoic acid
CID 6995511

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium?
The IUPAC name of [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium (CID 173359091) is [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium.
What is the SMILES notation for [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium?
The canonical SMILES for [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium is C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC[C@@H](O)C(=O)O.
What is the InChIKey of [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium?
The InChIKey is CCSBUTGRZGGSPE-FYZOBXCZSA-P. The full InChI is InChI=1S/C7H15NO3.C5H11NO2/c1-8(2,3)5-4-6(9)7(10)11;1-6(2,3)4-5(7)8/h6,9H,4-5H2,1-3H3;4H2,1-3H3/p+2/t6-;/m1./s1.
What are the key properties of [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium?
[(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium has a molecular weight of 280.37 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-carboxy-3-hydroxypropyl]-trimethylazanium;carboxymethyl(trimethyl)azanium is sourced from PubChem (CID 173359091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).