methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate

C14H18N2O3 — CID 168692582

IUPACmethyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C(C)Cc2cccnc2)C1
InChIInChI=1S/C14H18N2O3/c1-10(6-11-4-3-5-15-8-11)16-9-12(7-13(16)17)14(18)19-2/h3-5,8,10,12H,6-7,9H2,1-2H3
InChIKeyMZNSBTVXXQPSQX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds4

About methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate (PubChem CID 168692582) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate
PubChem CID168692582
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C(C)Cc2cccnc2)C1
InChIInChI=1S/C14H18N2O3/c1-10(6-11-4-3-5-15-8-11)16-9-12(7-13(16)17)14(18)19-2/h3-5,8,10,12H,6-7,9H2,1-2H3
InChIKeyMZNSBTVXXQPSQX-UHFFFAOYSA-N
XLogP1.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate (CID 168692582) is methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C(C)Cc2cccnc2)C1.
What is the InChIKey of methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is MZNSBTVXXQPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(6-11-4-3-5-15-8-11)16-9-12(7-13(16)17)14(18)19-2/h3-5,8,10,12H,6-7,9H2,1-2H3.
What are the key properties of methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(1-pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168692582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).