EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	W42M0MI271
EPA CompTox	DTXSID20883973

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

W42M0MI271

EPA CompTox

DTXSID20883973


InChI Key	VXYFARNRGZWHTJ-FVGYRXGTSA-N
Smiles	Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI	InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1

InChI Key

VXYFARNRGZWHTJ-FVGYRXGTSA-N

Smiles

Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI

InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1

Property Name	Value
Molecular Formula	C10H14ClNO3
Molecular Weight	231.07
AlogP	0.86
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	72.55
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H14ClNO3

Molecular Weight

231.07

AlogP

0.86

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

72.55

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	3417-91-2
NORMAN SUSDAT
FDA SRS	W42M0MI271
PubChem	76956
ChemSpider	69405.0

Resources

Reference

CAS NUMBER

3417-91-2

NORMAN SUSDAT

FDA SRS

W42M0MI271

PubChem

76956

ChemSpider

69405.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

L-TYROSINE, METHYL ESTER, HYDROCHLORIDE (1:1)

Structure

Physicochemical Descriptors

Cross References