3-Hydroxy-1,1-dimethylurea

Details

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Internal ID 448c49ba-4323-4389-8e90-416f8ed1f66c
Taxonomy Organic acids and derivatives > Organic carbonic acids and derivatives
IUPAC Name 3-hydroxy-1,1-dimethylurea
SMILES (Canonical) CN(C)C(=O)NO
SMILES (Isomeric) CN(C)C(=O)NO
InChI InChI=1S/C3H8N2O2/c1-5(2)3(6)4-7/h7H,1-2H3,(H,4,6)
InChI Key SJIIGPWRRLKCEI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C3H8N2O2
Molecular Weight 104.11 g/mol
Exact Mass 104.058577502 g/mol
Topological Polar Surface Area (TPSA) 52.60 Ų
XlogP -0.90

Synonyms

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52253-32-4
Urea, N'-hydroxy-N,N-dimethyl-
NSC606932
N-hydroxy-N',N'-dimethylurea
SCHEMBL6791961
SCHEMBL17329377
DTXSID10326642
NSC-606932
EN300-309599

2D Structure

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2D Structure of 3-Hydroxy-1,1-dimethylurea

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.92% 96.09%
CHEMBL340 P08684 Cytochrome P450 3A4 82.41% 91.19%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.07% 94.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 354650
LOTUS LTS0123561
wikiData Q82087755