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

C5H12N2O3 — CID 57044153

IUPAC1-(2,3-dihydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(O)CO
InChIInChI=1S/C5H12N2O3/c1-6-5(10)7-2-4(9)3-8/h4,8-9H,2-3H2,1H3,(H2,6,7,10)
InChIKeyRYMKBEJGCAGRJD-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.73
Rot. Bonds3

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

1-(2,3-dihydroxypropyl)-3-methylurea (PubChem CID 57044153) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-methylurea
PubChem CID57044153
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1-(2,3-dihydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(O)CO
InChIInChI=1S/C5H12N2O3/c1-6-5(10)7-2-4(9)3-8/h4,8-9H,2-3H2,1H3,(H2,6,7,10)
InChIKeyRYMKBEJGCAGRJD-UHFFFAOYSA-N
XLogP-1.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.73
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-methylurea?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-methylurea (CID 57044153) is 1-(2,3-dihydroxypropyl)-3-methylurea.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-methylurea?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-methylurea is CNC(=O)NCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-methylurea?
The InChIKey is RYMKBEJGCAGRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-6-5(10)7-2-4(9)3-8/h4,8-9H,2-3H2,1H3,(H2,6,7,10).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-methylurea?
1-(2,3-dihydroxypropyl)-3-methylurea has a molecular weight of 148.16 g/mol, XLogP of -1.73, 3 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-methylurea is sourced from PubChem (CID 57044153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).