1-(2,3-dihydroxypropyl)-3-propan-2-ylurea

C7H16N2O3 — CID 58875833

IUPAC1-(2,3-dihydroxypropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-5(2)9-7(12)8-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyQRPLMURYKLIHKA-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.95
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea

1-(2,3-dihydroxypropyl)-3-propan-2-ylurea (PubChem CID 58875833) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-propan-2-ylurea
PubChem CID58875833
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1-(2,3-dihydroxypropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-5(2)9-7(12)8-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyQRPLMURYKLIHKA-UHFFFAOYSA-N
XLogP-0.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.95
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-propan-2-ylurea?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea (CID 58875833) is 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea?
The InChIKey is QRPLMURYKLIHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(2)9-7(12)8-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-propan-2-ylurea?
1-(2,3-dihydroxypropyl)-3-propan-2-ylurea has a molecular weight of 176.22 g/mol, XLogP of -0.95, 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-propan-2-ylurea is sourced from PubChem (CID 58875833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).