tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate

C15H22N2O2 — CID 34178068

IUPACtert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1N
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10,16H2,1-3H3/t13-/m1/s1
InChIKeyWYNXFUKJWOWCHS-CYBMUJFWSA-N
MW262.35 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate (PubChem CID 34178068) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
PubChem CID34178068
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1N
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10,16H2,1-3H3/t13-/m1/s1
InChIKeyWYNXFUKJWOWCHS-CYBMUJFWSA-N
XLogP3.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
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tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
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tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
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tert-butyl 2-(5-amino-2-chlorophenyl)pyrrolidine-1-carboxylate
CID 82279498
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
tert-butyl 2-(3-ethyl-2-methylphenyl)pyrrolidine-1-carboxylate
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tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
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tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate (CID 34178068) is tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1N.
What is the InChIKey of tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The InChIKey is WYNXFUKJWOWCHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8,13H,6,9-10,16H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 34178068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).