1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea

C6H14N2O5 — CID 88538082

IUPAC1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)OCC(O)CO
InChIInChI=1S/C6H14N2O5/c7-6(12)8(1-2-9)13-4-5(11)3-10/h5,9-11H,1-4H2,(H2,7,12)
InChIKeyHGJAAQDLSAAVGO-UHFFFAOYSA-N
MW194.19 g/mol
LogP-2.36
Rot. Bonds6

About 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea

1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea (PubChem CID 88538082) has the molecular formula C6H14N2O5 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea
PubChem CID88538082
Molecular FormulaC6H14N2O5
Molecular Weight194.19 g/mol
Exact Mass194.09
IUPAC Name1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)OCC(O)CO
InChIInChI=1S/C6H14N2O5/c7-6(12)8(1-2-9)13-4-5(11)3-10/h5,9-11H,1-4H2,(H2,7,12)
InChIKeyHGJAAQDLSAAVGO-UHFFFAOYSA-N
XLogP-2.36
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
[bis(2-hydroxyethyl)amino] 2,3-dihydroxypropyl hydrogen phosphate
CID 175400653
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
propane-1,2,3-triol;urea;hydrate
CID 174420698
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2,3-dihydroxypropyl 3,5-bis[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzoate
CID 19987836
2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
CID 90957115
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
copper;2,3-dihydroxypropyl acetate
CID 175414462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea (CID 88538082) is 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea is NC(=O)N(CCO)OCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea?
The InChIKey is HGJAAQDLSAAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5/c7-6(12)8(1-2-9)13-4-5(11)3-10/h5,9-11H,1-4H2,(H2,7,12).
What are the key properties of 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea?
1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea has a molecular weight of 194.19 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropoxy)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 88538082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).