methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate

C11H22N2O2 — CID 120857753

IUPACmethyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)N)C1C
InChIInChI=1S/C11H22N2O2/c1-8-9(10(14)15-4)5-6-13(8)7-11(2,3)12/h8-9H,5-7,12H2,1-4H3
InChIKeyROIRNQGLVYZCBK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate

methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate (PubChem CID 120857753) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
PubChem CID120857753
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)N)C1C
InChIInChI=1S/C11H22N2O2/c1-8-9(10(14)15-4)5-6-13(8)7-11(2,3)12/h8-9H,5-7,12H2,1-4H3
InChIKeyROIRNQGLVYZCBK-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
CID 126995651
methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
CID 120854764
methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
CID 130605326
methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride
CID 120905407
3-O-methyl 1-O-(2-methylbutan-2-yl) (2S,3S)-2-methylpyrrolidine-1,3-dicarboxylate
CID 155109216
2-methyl-1-[2-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 120858149
1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid
CID 164647429
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
1-O-tert-butyl 3-O-methyl 2-methylpiperidine-1,3-dicarboxylate
CID 90404337
methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate
CID 159406429
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369030
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate (CID 120857753) is methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(C)(C)N)C1C.
What is the InChIKey of methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate?
The InChIKey is ROIRNQGLVYZCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-9(10(14)15-4)5-6-13(8)7-11(2,3)12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate?
methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 120857753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).