Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key RFMMMVDNIPUKGG-UHFFFAOYSA-N
Smile CC(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO5
Molecular Weight 189.17
AlogP -0.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 103.7
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEBI 172431
ChEMBL CHEMBL2142890
Human Metabolome Database HMDB0001138
SureChEMBL SCHEMBL198970