methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate

C9H17NO2 — CID 124654196

IUPACmethyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CC(C)(C)CN1
InChIInChI=1S/C9H17NO2/c1-8(2)5-9(3,10-6-8)7(11)12-4/h10H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyGJHVKVACKVNPKT-SECBINFHSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds1

About methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate

methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate (PubChem CID 124654196) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate
PubChem CID124654196
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CC(C)(C)CN1
InChIInChI=1S/C9H17NO2/c1-8(2)5-9(3,10-6-8)7(11)12-4/h10H,5-6H2,1-4H3/t9-/m1/s1
InChIKeyGJHVKVACKVNPKT-SECBINFHSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 7-methyl-5-azaspiro[3.4]octane-7-carboxylate;hydrochloride
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methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate (CID 124654196) is methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate is COC(=O)[C@@]1(C)CC(C)(C)CN1.
What is the InChIKey of methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate?
The InChIKey is GJHVKVACKVNPKT-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-9(3,10-6-8)7(11)12-4/h10H,5-6H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate?
methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 124654196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).