methyl 3,3-dimethylpyrrolidine-2-carboxylate

C8H15NO2 — CID 75088961

IUPACmethyl 3,3-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCCC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)4-5-9-6(8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyAJFBTXPJZYQWJB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About methyl 3,3-dimethylpyrrolidine-2-carboxylate

methyl 3,3-dimethylpyrrolidine-2-carboxylate (PubChem CID 75088961) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 3,3-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethylpyrrolidine-2-carboxylate
PubChem CID75088961
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 3,3-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCCC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)4-5-9-6(8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyAJFBTXPJZYQWJB-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 3,3-dimethylpyrrolidine-2-carboxylate (CID 75088961) is methyl 3,3-dimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3,3-dimethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3,3-dimethylpyrrolidine-2-carboxylate is COC(=O)C1NCCC1(C)C.
What is the InChIKey of methyl 3,3-dimethylpyrrolidine-2-carboxylate?
The InChIKey is AJFBTXPJZYQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)4-5-9-6(8)7(10)11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 3,3-dimethylpyrrolidine-2-carboxylate?
methyl 3,3-dimethylpyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 75088961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).