tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate

C15H19ClN2O3 — CID 80998555

IUPACtert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)12-5-4-8-18(12)13(19)11-7-6-10(16)9-17-11/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeySPGCIAFTYHFIQW-GFCCVEGCSA-N
MW310.78 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 80998555) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID80998555
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nametert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)12-5-4-8-18(12)13(19)11-7-6-10(16)9-17-11/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeySPGCIAFTYHFIQW-GFCCVEGCSA-N
XLogP2.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate (CID 80998555) is tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cn1.
What is the InChIKey of tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is SPGCIAFTYHFIQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)12-5-4-8-18(12)13(19)11-7-6-10(16)9-17-11/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80998555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).