tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate

C16H23NO3 — CID 15189984

IUPACtert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-6-9-14(17)12-7-5-8-13(11-12)19-4/h5,7-8,11,14H,6,9-10H2,1-4H3
InChIKeyQBCHZWMMVIICFT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 15189984) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID15189984
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1cccc(C2CCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-6-9-14(17)12-7-5-8-13(11-12)19-4/h5,7-8,11,14H,6,9-10H2,1-4H3
InChIKeyQBCHZWMMVIICFT-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
tert-butyl (2S,3S)-3-hydroxy-2-(3-methoxyphenyl)piperidine-1-carboxylate
CID 11381259
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
CID 71207301
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 76894813
tert-butyl (2S)-2-(3-cyanophenyl)pyrrolidine-1-carboxylate
CID 91798847
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate (CID 15189984) is tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate is COc1cccc(C2CCCN2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is QBCHZWMMVIICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-6-9-14(17)12-7-5-8-13(11-12)19-4/h5,7-8,11,14H,6,9-10H2,1-4H3.
What are the key properties of tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15189984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).