methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate

C12H14N2O5 — CID 43623801

IUPACmethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H14N2O5/c1-19-12(18)8-3-2-4-14(8)11(17)7-5-9(15)13-10(16)6-7/h5-6,8H,2-4H2,1H3,(H2,13,15,16)
InChIKeySFQACMGQEQAOSS-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.14
Rot. Bonds2

About methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43623801) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43623801
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H14N2O5/c1-19-12(18)8-3-2-4-14(8)11(17)7-5-9(15)13-10(16)6-7/h5-6,8H,2-4H2,1H3,(H2,13,15,16)
InChIKeySFQACMGQEQAOSS-UHFFFAOYSA-N
XLogP-0.14
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate (CID 43623801) is methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is SFQACMGQEQAOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-12(18)8-3-2-4-14(8)11(17)7-5-9(15)13-10(16)6-7/h5-6,8H,2-4H2,1H3,(H2,13,15,16).
What are the key properties of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 266.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).