tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate

C16H23ClN2O3 — CID 171648311

IUPACtert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate
SMILESCOc1ncc(C2CCCN2CC(=O)OC(C)(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-16(2,3)22-14(20)10-19-7-5-6-13(19)11-8-12(17)15(21-4)18-9-11/h8-9,13H,5-7,10H2,1-4H3
InChIKeyGBEWTKBUYGSUEF-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate

tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate (PubChem CID 171648311) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate
PubChem CID171648311
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Nametert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate
SMILESCOc1ncc(C2CCCN2CC(=O)OC(C)(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-16(2,3)22-14(20)10-19-7-5-6-13(19)11-8-12(17)15(21-4)18-9-11/h8-9,13H,5-7,10H2,1-4H3
InChIKeyGBEWTKBUYGSUEF-UHFFFAOYSA-N
XLogP3.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 2-(((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)pyrrolidine-1-carboxylate
CID 71631395
tert-butyl (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 97172836
tert-butyl (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 97172837
3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 24800117
tert-butyl (2S)-2-[(6-chloro-5-propyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 53839741
3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522816
[2-(6-Chloro-5-methoxy-3-pyridinyl)pyrrolidin-1-yl]-methylcarbamic acid
CID 88149897
2-Chloro-3-methoxy-5-(1-methylpyrrolidin-2-yl)pyridine
CID 88152785
3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane
CID 91015529
3-Chloro-2-methoxy-5-pyrrolidin-2-ylpyridine
CID 129941679
tert-butyl (2R)-2-[(6-chloro-5-octyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 139913757
3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 143571471

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate (CID 171648311) is tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate is COc1ncc(C2CCCN2CC(=O)OC(C)(C)C)cc1Cl.
What is the InChIKey of tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate?
The InChIKey is GBEWTKBUYGSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-16(2,3)22-14(20)10-19-7-5-6-13(19)11-8-12(17)15(21-4)18-9-11/h8-9,13H,5-7,10H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate?
tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate has a molecular weight of 326.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(5-chloro-6-methoxy-3-pyridinyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 171648311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).