methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate

C13H18N2O3 — CID 168942219

IUPACmethyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCCN1c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-13(9-12(17)18-2)7-4-8-15(13)10-5-3-6-11(16)14-10/h3,5-6H,4,7-9H2,1-2H3,(H,14,16)/t13-/m1/s1
InChIKeyZFGWGVUBQJVLSM-CYBMUJFWSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds3

About methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate

methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate (PubChem CID 168942219) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate
PubChem CID168942219
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCCN1c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-13(9-12(17)18-2)7-4-8-15(13)10-5-3-6-11(16)14-10/h3,5-6H,4,7-9H2,1-2H3,(H,14,16)/t13-/m1/s1
InChIKeyZFGWGVUBQJVLSM-CYBMUJFWSA-N
XLogP1.30
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate (CID 168942219) is methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate is COC(=O)C[C@@]1(C)CCCN1c1cccc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate?
The InChIKey is ZFGWGVUBQJVLSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(9-12(17)18-2)7-4-8-15(13)10-5-3-6-11(16)14-10/h3,5-6H,4,7-9H2,1-2H3,(H,14,16)/t13-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate?
methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-methyl-1-(6-oxo-1H-pyridin-2-yl)pyrrolidin-2-yl]acetate is sourced from PubChem (CID 168942219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).