tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

C16H24N2O3 — CID 81000153

IUPACtert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)n1C
InChIInChI=1S/C16H24N2O3/c1-11-8-9-12(17(11)5)14(19)18-10-6-7-13(18)15(20)21-16(2,3)4/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyLQCQKLUIRZSLPZ-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 81000153) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID81000153
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)n1C
InChIInChI=1S/C16H24N2O3/c1-11-8-9-12(17(11)5)14(19)18-10-6-7-13(18)15(20)21-16(2,3)4/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1
InChIKeyLQCQKLUIRZSLPZ-CYBMUJFWSA-N
XLogP2.28
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 55006109
1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43211084
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
tert-butyl (2R)-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 115535890
tert-butyl (2S)-1-(1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 115535793
tert-butyl (2S)-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 81004208
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
tert-butyl (2R)-1-(4,5-dimethylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999187
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (CID 81000153) is tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)n1C.
What is the InChIKey of tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is LQCQKLUIRZSLPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-8-9-12(17(11)5)14(19)18-10-6-7-13(18)15(20)21-16(2,3)4/h8-9,13H,6-7,10H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81000153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).