1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea

C10H20N2O3 — CID 40600201

IUPAC1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea
SMILESO=C(NC[C@@H](O)CO)NC1CCCCC1
InChIInChI=1S/C10H20N2O3/c13-7-9(14)6-11-10(15)12-8-4-2-1-3-5-8/h8-9,13-14H,1-7H2,(H2,11,12,15)/t9-/m1/s1
InChIKeyHYYGOKJQEVGLFG-SECBINFHSA-N
MW216.28 g/mol
LogP-0.03
Rot. Bonds4

About 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea

1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea (PubChem CID 40600201) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea
PubChem CID40600201
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea
SMILESO=C(NC[C@@H](O)CO)NC1CCCCC1
InChIInChI=1S/C10H20N2O3/c13-7-9(14)6-11-10(15)12-8-4-2-1-3-5-8/h8-9,13-14H,1-7H2,(H2,11,12,15)/t9-/m1/s1
InChIKeyHYYGOKJQEVGLFG-SECBINFHSA-N
XLogP-0.03
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea (CID 40600201) is 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea is O=C(NC[C@@H](O)CO)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea?
The InChIKey is HYYGOKJQEVGLFG-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3/c13-7-9(14)6-11-10(15)12-8-4-2-1-3-5-8/h8-9,13-14H,1-7H2,(H2,11,12,15)/t9-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea?
1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea has a molecular weight of 216.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea is sourced from PubChem (CID 40600201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).