Structure

InChI Key YUUAYBAIHCDHHD-UHFFFAOYSA-N
Smile COC(=O)CCC(=O)CN
InChI
InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NO3
Molecular Weight 145.16
AlogP -0.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 69.39
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Keratosis, Actinic 3 D055623 ClinicalTrials
Skin Aging 3 D015595 ClinicalTrials
Carcinoma, Basal Cell 3 D002280 ClinicalTrials
Acne Vulgaris 2 D000152 ClinicalTrials
Cheilitis 1 D002613 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Uterine Cervical Dysplasia 1 D002578 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 33320-16-0
ChEBI 724125
ChEMBL CHEMBL1096562
DrugBank DB00992
DrugCentral 168
EPA CompTox DTXSID3048570
FDA SRS 585NM85KYM
Human Metabolome Database HMDB0015127
PharmGKB PA164784028
PubChem 157922
SureChEMBL SCHEMBL8521
ZINC ZINC000001909090