tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C17H24N2O4 — CID 797689

IUPACtert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-5-6-14(19)15(20)18-12-7-9-13(22-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyHATYGGPOZXRCMP-CQSZACIVSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 797689) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID797689
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-5-6-14(19)15(20)18-12-7-9-13(22-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyHATYGGPOZXRCMP-CQSZACIVSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 797689) is tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is HATYGGPOZXRCMP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-5-6-14(19)15(20)18-12-7-9-13(22-4)10-8-12/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 797689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).