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

C17H23NO4 — CID 53469483

IUPACtert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)c1ccccc1[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-11-7-10-14(18)12-8-5-6-9-13(12)15(19)21-4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m1/s1
InChIKeyFSENXKYSCRHWDW-CQSZACIVSA-N
MW305.37 g/mol
LogP3.55
Rot. Bonds2

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

tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate (PubChem CID 53469483) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
PubChem CID53469483
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)c1ccccc1[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-11-7-10-14(18)12-8-5-6-9-13(12)15(19)21-4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m1/s1
InChIKeyFSENXKYSCRHWDW-CQSZACIVSA-N
XLogP3.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
tert-butyl 2-(2-chloro-3-methoxy-4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 69334627
tert-butyl 2-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 155600402
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817
tert-butyl (2S)-2-[2-(2-methylpropyl)phenyl]pyrrolidine-1-carboxylate
CID 164551544
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
tert-butyl 2-(3-ethyl-2-methylphenyl)pyrrolidine-1-carboxylate
CID 143322624
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
2-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124964523
tert-butyl 2-[(2-chloro-6-methoxycarbonylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 139939729

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate (CID 53469483) is tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate is COC(=O)c1ccccc1[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate?
The InChIKey is FSENXKYSCRHWDW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-11-7-10-14(18)12-8-5-6-9-13(12)15(19)21-4/h5-6,8-9,14H,7,10-11H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 53469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).