EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8L4GGH5LSS

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8L4GGH5LSS


InChI Key	PITJAAIPVBVRAO-UHFFFAOYSA-N
Smiles	O=C(OC(C)(C)C)N1CCCC1C(=O)N
InChI	InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)

InChI Key

PITJAAIPVBVRAO-UHFFFAOYSA-N

Smiles

O=C(OC(C)(C)C)N1CCCC1C(=O)N

InChI

InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)

Property Name	Value
Molecular Formula	C10H18N2O3
Molecular Weight	214.13
AlogP	1.92
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	73.62
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H18N2O3

Molecular Weight

214.13

AlogP

1.92

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

73.62

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	54503-10-5
NORMAN SUSDAT
FDA SRS	8L4GGH5LSS
PubChem	3016886

Resources

Reference

CAS NUMBER

54503-10-5

NORMAN SUSDAT

FDA SRS

8L4GGH5LSS

PubChem

3016886

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...

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Last update: Monday, 3 November 2025

TERT-BUTYL 2-(AMINOCARBONYL)PYRROLIDINE-1-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References