1-tert-butyl-3-(2,3-dihydroxypropyl)urea

C8H18N2O3 — CID 57256466

IUPAC1-tert-butyl-3-(2,3-dihydroxypropyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-8(2,3)10-7(13)9-4-6(12)5-11/h6,11-12H,4-5H2,1-3H3,(H2,9,10,13)
InChIKeyABDCAVBQGQQJJA-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.56
Rot. Bonds3

About 1-tert-butyl-3-(2,3-dihydroxypropyl)urea

1-tert-butyl-3-(2,3-dihydroxypropyl)urea (PubChem CID 57256466) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3-dihydroxypropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3-dihydroxypropyl)urea
PubChem CID57256466
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-tert-butyl-3-(2,3-dihydroxypropyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-8(2,3)10-7(13)9-4-6(12)5-11/h6,11-12H,4-5H2,1-3H3,(H2,9,10,13)
InChIKeyABDCAVBQGQQJJA-UHFFFAOYSA-N
XLogP-0.56
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,3-dihydroxypropyl)urea?
The IUPAC name of 1-tert-butyl-3-(2,3-dihydroxypropyl)urea (CID 57256466) is 1-tert-butyl-3-(2,3-dihydroxypropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,3-dihydroxypropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,3-dihydroxypropyl)urea is CC(C)(C)NC(=O)NCC(O)CO.
What is the InChIKey of 1-tert-butyl-3-(2,3-dihydroxypropyl)urea?
The InChIKey is ABDCAVBQGQQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)10-7(13)9-4-6(12)5-11/h6,11-12H,4-5H2,1-3H3,(H2,9,10,13).
What are the key properties of 1-tert-butyl-3-(2,3-dihydroxypropyl)urea?
1-tert-butyl-3-(2,3-dihydroxypropyl)urea has a molecular weight of 190.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3-dihydroxypropyl)urea is sourced from PubChem (CID 57256466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).