EcoDrugPlus


Synonyms	GPI 1485 Gpi 1485 Gpi-1485
Status
Molecule Category	Free-form
UNII	0709BVY57W

Synonyms

GPI 1485

Gpi 1485

Gpi-1485

Status

Molecule Category

Free-form

UNII

0709BVY57W


InChI Key	FOPALECPEUVCTL-QMMMGPOBSA-N
Smiles	CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChI	InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1

InChI Key

FOPALECPEUVCTL-QMMMGPOBSA-N

Smiles

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1

Property Name	Value
Molecular Formula	C12H19NO4
Molecular Weight	241.29
AlogP	1.07
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	74.68
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H19NO4

Molecular Weight

241.29

AlogP

1.07

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

74.68

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

17.0

Resources	Reference
ChEMBL	CHEMBL4297382
DrugBank	DB05814
FDA SRS	0709BVY57W
SureChEMBL	SCHEMBL2006950
ZINC	ZINC000033979157

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

GPI-1485

Structure

Physicochemical Descriptors

Cross References