methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate

C12H14N2O3 — CID 42579837

IUPACmethyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10-5-11(15)14(8-10)7-9-3-2-4-13-6-9/h2-4,6,10H,5,7-8H2,1H3/t10-/m1/s1
InChIKeyAJPYCOBVPXMNPP-SNVBAGLBSA-N
MW234.25 g/mol
LogP0.60
Rot. Bonds3

About methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate

methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate (PubChem CID 42579837) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
PubChem CID42579837
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)10-5-11(15)14(8-10)7-9-3-2-4-13-6-9/h2-4,6,10H,5,7-8H2,1H3/t10-/m1/s1
InChIKeyAJPYCOBVPXMNPP-SNVBAGLBSA-N
XLogP0.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate
CID 168692582
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
methyl 1-[(3-aminophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694329
N-[3-(2-methoxyphenyl)propyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74233936
methyl 1-[(4-methoxycarbonylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 50873960
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72900787

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate (CID 42579837) is methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The InChIKey is AJPYCOBVPXMNPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-12(16)10-5-11(15)14(8-10)7-9-3-2-4-13-6-9/h2-4,6,10H,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 42579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).