1-(2,3-dihydroxypropyl)-3-ethylurea

C6H14N2O3 — CID 57248803

IUPAC1-(2,3-dihydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)CO
InChIInChI=1S/C6H14N2O3/c1-2-7-6(11)8-3-5(10)4-9/h5,9-10H,2-4H2,1H3,(H2,7,8,11)
InChIKeySUXCWVAOEXHLIT-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.34
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-3-ethylurea

1-(2,3-dihydroxypropyl)-3-ethylurea (PubChem CID 57248803) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-ethylurea
PubChem CID57248803
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-(2,3-dihydroxypropyl)-3-ethylurea
SMILESCCNC(=O)NCC(O)CO
InChIInChI=1S/C6H14N2O3/c1-2-7-6(11)8-3-5(10)4-9/h5,9-10H,2-4H2,1H3,(H2,7,8,11)
InChIKeySUXCWVAOEXHLIT-UHFFFAOYSA-N
XLogP-1.34
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-ethylurea?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-ethylurea (CID 57248803) is 1-(2,3-dihydroxypropyl)-3-ethylurea.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-ethylurea?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-ethylurea is CCNC(=O)NCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-ethylurea?
The InChIKey is SUXCWVAOEXHLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-2-7-6(11)8-3-5(10)4-9/h5,9-10H,2-4H2,1H3,(H2,7,8,11).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-ethylurea?
1-(2,3-dihydroxypropyl)-3-ethylurea has a molecular weight of 162.19 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-ethylurea is sourced from PubChem (CID 57248803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).