1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea

C10H20N2O2 — CID 164821401

IUPAC1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea
SMILESCC(C)[C@@H](C)NC(=O)NC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(3)11-10(13)12-9-4-5-14-6-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13)/t8-,9?/m1/s1
InChIKeyDCJKURBMAYGWCA-VEDVMXKPSA-N
MW200.28 g/mol
LogP1.12
Rot. Bonds3

About 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea

1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea (PubChem CID 164821401) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea
PubChem CID164821401
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea
SMILESCC(C)[C@@H](C)NC(=O)NC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-7(2)8(3)11-10(13)12-9-4-5-14-6-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13)/t8-,9?/m1/s1
InChIKeyDCJKURBMAYGWCA-VEDVMXKPSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea (CID 164821401) is 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea is CC(C)[C@@H](C)NC(=O)NC1CCOC1.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea?
The InChIKey is DCJKURBMAYGWCA-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)8(3)11-10(13)12-9-4-5-14-6-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13)/t8-,9?/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea?
1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 164821401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).