methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate

C13H17NO4 — CID 137457337

IUPACmethyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@@H]2CCC[C@H]2OC)c1=O
InChIInChI=1S/C13H17NO4/c1-17-11-7-3-6-10(11)14-8-4-5-9(12(14)15)13(16)18-2/h4-5,8,10-11H,3,6-7H2,1-2H3/t10-,11-/m1/s1
InChIKeyDHQPPOKUNCUWEJ-GHMZBOCLSA-N
MW251.28 g/mol
LogP1.37
Rot. Bonds3

About methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate

methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate (PubChem CID 137457337) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
PubChem CID137457337
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@@H]2CCC[C@H]2OC)c1=O
InChIInChI=1S/C13H17NO4/c1-17-11-7-3-6-10(11)14-8-4-5-9(12(14)15)13(16)18-2/h4-5,8,10-11H,3,6-7H2,1-2H3/t10-,11-/m1/s1
InChIKeyDHQPPOKUNCUWEJ-GHMZBOCLSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate (CID 137457337) is methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn([C@@H]2CCC[C@H]2OC)c1=O.
What is the InChIKey of methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate?
The InChIKey is DHQPPOKUNCUWEJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-11-7-3-6-10(11)14-8-4-5-9(12(14)15)13(16)18-2/h4-5,8,10-11H,3,6-7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate?
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137457337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).