carbonic acid;2-hydroxypropyl(trimethyl)azanium

C7H18NO4+ — CID 174974136

IUPACcarbonic acid;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.O=C(O)O
InChIInChI=1S/C6H16NO.CH2O3/c1-6(8)5-7(2,3)4;2-1(3)4/h6,8H,5H2,1-4H3;(H2,2,3,4)/q+1;
InChIKeySVUJMCAUPHQIOU-UHFFFAOYSA-N
MW180.22 g/mol
LogP0.30
Rot. Bonds2

About carbonic acid;2-hydroxypropyl(trimethyl)azanium

carbonic acid;2-hydroxypropyl(trimethyl)azanium (PubChem CID 174974136) has the molecular formula C7H18NO4+ and a molecular weight of 180.22 g/mol. Its IUPAC name is carbonic acid;2-hydroxypropyl(trimethyl)azanium.

Molecular Properties

Compound Namecarbonic acid;2-hydroxypropyl(trimethyl)azanium
PubChem CID174974136
Molecular FormulaC7H18NO4+
Molecular Weight180.22 g/mol
Exact Mass180.12
IUPAC Namecarbonic acid;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.O=C(O)O
InChIInChI=1S/C6H16NO.CH2O3/c1-6(8)5-7(2,3)4;2-1(3)4/h6,8H,5H2,1-4H3;(H2,2,3,4)/q+1;
InChIKeySVUJMCAUPHQIOU-UHFFFAOYSA-N
XLogP0.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
CID 87756343
azane;formic acid;2-hydroxypropyl(trimethyl)azanium
CID 174711582
2-hydroxypropyl(trimethyl)azanium;perchloric acid
CID 87344465
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
2-hydroxypropyl(trimethyl)azanium;8-methylnonanoate
CID 86734985
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
2,3-dihydroxy-4-(trimethylazaniumyl)butanoate
CID 74335503

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxypropyl(trimethyl)azanium?
The IUPAC name of carbonic acid;2-hydroxypropyl(trimethyl)azanium (CID 174974136) is carbonic acid;2-hydroxypropyl(trimethyl)azanium.
What is the SMILES notation for carbonic acid;2-hydroxypropyl(trimethyl)azanium?
The canonical SMILES for carbonic acid;2-hydroxypropyl(trimethyl)azanium is CC(O)C[N+](C)(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroxypropyl(trimethyl)azanium?
The InChIKey is SVUJMCAUPHQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.CH2O3/c1-6(8)5-7(2,3)4;2-1(3)4/h6,8H,5H2,1-4H3;(H2,2,3,4)/q+1;.
What are the key properties of carbonic acid;2-hydroxypropyl(trimethyl)azanium?
carbonic acid;2-hydroxypropyl(trimethyl)azanium has a molecular weight of 180.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxypropyl(trimethyl)azanium is sourced from PubChem (CID 174974136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).