tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate

C18H27NO2 — CID 164551205

IUPACtert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
SMILESCc1ccccc1C1CC(C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO2/c1-13-9-7-8-10-14(13)15-11-18(5,6)12-19(15)16(20)21-17(2,3)4/h7-10,15H,11-12H2,1-6H3
InChIKeyJNZTULDXHZNANY-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.70
Rot. Bonds1

About tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate

tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate (PubChem CID 164551205) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
PubChem CID164551205
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
SMILESCc1ccccc1C1CC(C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H27NO2/c1-13-9-7-8-10-14(13)15-11-18(5,6)12-19(15)16(20)21-17(2,3)4/h7-10,15H,11-12H2,1-6H3
InChIKeyJNZTULDXHZNANY-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoquinoline-1-carboxylic acid
CID 162341916
tert-butyl (2S)-2-(4,5-dibromo-1H-imidazol-2-yl)-4,4-dimethylpyrrolidine-1-carboxylate
CID 66837263
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
tert-butyl (2S)-4,4-dimethyl-2-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxylate
CID 102042513
(2S,3S)-2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51695333
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-methylphenyl)pyrrolidine-1,2-dicarboxylate
CID 169198855
potassium 2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate
CID 4715370
tert-butyl 1,5-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 149428557
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate (CID 164551205) is tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate is Cc1ccccc1C1CC(C)(C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate?
The InChIKey is JNZTULDXHZNANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-9-7-8-10-14(13)15-11-18(5,6)12-19(15)16(20)21-17(2,3)4/h7-10,15H,11-12H2,1-6H3.
What are the key properties of tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate?
tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 164551205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).