tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate

C10H19NO2 — CID 59070240

IUPACtert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJQXFBJIDTLTFNU-MRVPVSSYSA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds

About tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate (PubChem CID 59070240) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
PubChem CID59070240
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJQXFBJIDTLTFNU-MRVPVSSYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl 3-methylpyrrolidine-1-carboxylate;ethane;ethyl formate
CID 145438130
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 4-methyl-3-methylsulfanylpiperidine-1-carboxylate
CID 151965583
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate (CID 59070240) is tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate is C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is JQXFBJIDTLTFNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 59070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).