methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate

C16H23NO2 — CID 174869062

IUPACmethyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCC(C)(C)N1c1ccccc1C
InChIInChI=1S/C16H23NO2/c1-12-8-6-7-9-13(12)17-15(2,3)10-11-16(17,4)14(18)19-5/h6-9H,10-11H2,1-5H3/t16-/m1/s1
InChIKeyLMVWLVOFRXGNFH-MRXNPFEDSA-N
MW261.37 g/mol
LogP3.31
Rot. Bonds2

About methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate

methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate (PubChem CID 174869062) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate
PubChem CID174869062
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCC(C)(C)N1c1ccccc1C
InChIInChI=1S/C16H23NO2/c1-12-8-6-7-9-13(12)17-15(2,3)10-11-16(17,4)14(18)19-5/h6-9H,10-11H2,1-5H3/t16-/m1/s1
InChIKeyLMVWLVOFRXGNFH-MRXNPFEDSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate (CID 174869062) is methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate is COC(=O)[C@@]1(C)CCC(C)(C)N1c1ccccc1C.
What is the InChIKey of methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate?
The InChIKey is LMVWLVOFRXGNFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-6-7-9-13(12)17-15(2,3)10-11-16(17,4)14(18)19-5/h6-9H,10-11H2,1-5H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate?
methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,5,5-trimethyl-1-(2-methylphenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 174869062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).