3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C12H23N3O2 — CID 115574206

IUPAC3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCN(CC(=O)N1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-12(2,3)13-11(17)14(4)9-10(16)15-7-5-6-8-15/h5-9H2,1-4H3,(H,13,17)
InChIKeyKMLBSDBFDZWENA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.05
Rot. Bonds2

About 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea

3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 115574206) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID115574206
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCN(CC(=O)N1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-12(2,3)13-11(17)14(4)9-10(16)15-7-5-6-8-15/h5-9H2,1-4H3,(H,13,17)
InChIKeyKMLBSDBFDZWENA-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
3-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574208
2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
CID 65302425
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-N-(2-methylpropyl)acetamide
CID 167769215
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 115692831
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 115574206) is 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea is CN(CC(=O)N1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is KMLBSDBFDZWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)13-11(17)14(4)9-10(16)15-7-5-6-8-15/h5-9H2,1-4H3,(H,13,17).
What are the key properties of 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 241.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 115574206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).