Structure

InChI Key PHIQHXFUZVPYII-ZCFIWIBFSA-N
Smiles C[N+](C)(C)C[C@H](O)CC(=O)[O-]
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO3
Molecular Weight 161.2
AlogP -1.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 60.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Related Entries

Cross References

Resources Reference
ChEBI 16347
ChEMBL CHEMBL1149
DrugBank DB00583
DrugCentral 513
FDA SRS 0G389FZZ9M
Human Metabolome Database HMDB0000062
Guide to Pharmacology 4780
KEGG C00318
PDB 152
PharmGKB PA450154
PubChem 10917
SureChEMBL SCHEMBL21970
ZINC ZINC03079340