2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

C11H21NO3 — CID 102785992

IUPAC2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H21NO3/c1-8(2)7-15-11(14)12-5-4-9(3)10(12)6-13/h8-10,13H,4-7H2,1-3H3
InChIKeyJXJUNGUZOAIJTJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.48
Rot. Bonds3

About 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 102785992) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID102785992
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H21NO3/c1-8(2)7-15-11(14)12-5-4-9(3)10(12)6-13/h8-10,13H,4-7H2,1-3H3
InChIKeyJXJUNGUZOAIJTJ-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102780574
2-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 102778404
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetohydrazide
CID 102784332
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 102785839
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (CID 102785992) is 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is JXJUNGUZOAIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)7-15-11(14)12-5-4-9(3)10(12)6-13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 102785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).