3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea

C8H19N3O3 — CID 83120613

IUPAC3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC[C@H](O)CO
InChIInChI=1S/C8H19N3O3/c1-11(2)8(14)10-4-3-9-5-7(13)6-12/h7,9,12-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyWWAWDVSMWLZTCT-ZETCQYMHSA-N
MW205.26 g/mol
LogP-1.80
Rot. Bonds6

About 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83120613) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83120613
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC[C@H](O)CO
InChIInChI=1S/C8H19N3O3/c1-11(2)8(14)10-4-3-9-5-7(13)6-12/h7,9,12-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyWWAWDVSMWLZTCT-ZETCQYMHSA-N
XLogP-1.80
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
CID 60901605
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83120511
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea (CID 83120613) is 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNC[C@H](O)CO.
What is the InChIKey of 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is WWAWDVSMWLZTCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-11(2)8(14)10-4-3-9-5-7(13)6-12/h7,9,12-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1.
What are the key properties of 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 205.26 g/mol, XLogP of -1.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).