tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

C11H21NO3 — CID 130614753

IUPACtert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
SMILESCC1C[C@H](CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyMTGCHOAIXJTLDT-YGPZHTELSA-N
MW215.29 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate (PubChem CID 130614753) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
PubChem CID130614753
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
SMILESCC1C[C@H](CO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyMTGCHOAIXJTLDT-YGPZHTELSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 142151746
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl 4-methyl-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 118404564
tert-butyl (2S,4R)-2-(aminooxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 164852122
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 51358557
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2S,4R)-2-(acetyloxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 147412354
tert-butyl 2-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
CID 52911109
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
CID 53484855
tert-butyl 2-[(hydroxyamino)oxymethyl]-4-methylpyrrolidine-1-carboxylate
CID 156727113
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11425669
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11129340

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate (CID 130614753) is tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate is CC1C[C@H](CO)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate?
The InChIKey is MTGCHOAIXJTLDT-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 130614753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).