methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

C11H13N3O3 — CID 168699445

IUPACmethyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C11H13N3O3/c1-17-11(16)9-3-2-8(5-13-9)14-6-7(12)4-10(14)15/h2-3,5,7H,4,6,12H2,1H3
InChIKeyZWKYJPQBOIZVEB-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.07
Rot. Bonds2

About methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (PubChem CID 168699445) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
PubChem CID168699445
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(N)CC2=O)cn1
InChIInChI=1S/C11H13N3O3/c1-17-11(16)9-3-2-8(5-13-9)14-6-7(12)4-10(14)15/h2-3,5,7H,4,6,12H2,1H3
InChIKeyZWKYJPQBOIZVEB-UHFFFAOYSA-N
XLogP-0.07
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168684351
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694749
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
butyl 4-(4-amino-2-oxopyrrolidin-1-yl)benzoate
CID 168699215
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
methyl 5-bromopyridine-2-carboxylate
CID 7016458

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (CID 168699445) is methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N2CC(N)CC2=O)cn1.
What is the InChIKey of methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The InChIKey is ZWKYJPQBOIZVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-11(16)9-3-2-8(5-13-9)14-6-7(12)4-10(14)15/h2-3,5,7H,4,6,12H2,1H3.
What are the key properties of methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate has a molecular weight of 235.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 168699445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).