EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70189417

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70189417


InChI Key	AVYBHNDWIHYCDM-UHFFFAOYSA-N
Smiles	CN(C)CP(=O)(O)O
InChI	InChI=1S/C3H10NO3P/c1-4(2)3-8(5,6)7/h3H2,1-2H3,(H2,5,6,7)

InChI Key

AVYBHNDWIHYCDM-UHFFFAOYSA-N

Smiles

CN(C)CP(=O)(O)O

InChI

InChI=1S/C3H10NO3P/c1-4(2)3-8(5,6)7/h3H2,1-2H3,(H2,5,6,7)

Property Name	Value
Molecular Formula	C3H10N1O3P1
Molecular Weight	139.04
AlogP	-0.32
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	60.77
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H10N1O3P1

Molecular Weight

139.04

AlogP

-0.32

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

60.77

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	35869-68-2
NORMAN SUSDAT
PubChem	3015811
ChemSpider	2283874.0

Resources

Reference

CAS NUMBER

35869-68-2

NORMAN SUSDAT

PubChem

3015811

ChemSpider

2283874.0

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...

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Last update: Monday, 3 November 2025

PHOSPHONIC ACID, ((DIMETHYLAMINO)METHYL)-

Structure

Physicochemical Descriptors

Cross References