EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Food Contact Chemicals ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	8DUH1N11BX
EPA CompTox	DTXSID5021419

Keyword(s):

Indoor Environment Substances ; Food Contact Chemicals ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

8DUH1N11BX

EPA CompTox

DTXSID5021419


InChI Key	QIVBCDIJIAJPQS-VIFPVBQESA-N
Smiles	N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
InChI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

InChI Key

QIVBCDIJIAJPQS-VIFPVBQESA-N

Smiles

N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI

InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

Property Name	Value
Molecular Formula	C11H12N2O2
Molecular Weight	204.09
AlogP	1.12
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	79.11
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H12N2O2

Molecular Weight

204.09

AlogP

1.12

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

79.11

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	73-22-3
NORMAN SUSDAT
FDA SRS	8DUH1N11BX
PubChem	6305
ChemSpider	6066.0

Resources

Reference

CAS NUMBER

73-22-3

NORMAN SUSDAT

FDA SRS

8DUH1N11BX

PubChem

6305

ChemSpider

6066.0

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

L-TRYPTOPHAN

Structure

Physicochemical Descriptors

Cross References