methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate

C11H21NO2 — CID 59172147

IUPACmethyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-12-6-5-9(7-12)10(13)14-4/h9H,5-8H2,1-4H3
InChIKeyJVOGJFLBWPLZRI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate

methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate (PubChem CID 59172147) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
PubChem CID59172147
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-12-6-5-9(7-12)10(13)14-4/h9H,5-8H2,1-4H3
InChIKeyJVOGJFLBWPLZRI-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314
methyl 1-but-2-enylpyrrolidine-3-carboxylate
CID 112730748
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
CID 112730817
methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
CID 120854764

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate (CID 59172147) is methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(C)(C)C)C1.
What is the InChIKey of methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate?
The InChIKey is JVOGJFLBWPLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)8-12-6-5-9(7-12)10(13)14-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate?
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 59172147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).