1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H11N3O4 — CID 168690924

IUPAC1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cnc(N2CC(C(=O)O)CC2=O)nc1
InChIInChI=1S/C10H11N3O4/c1-17-7-3-11-10(12-4-7)13-5-6(9(15)16)2-8(13)14/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyJPAOOYAQXLZDFN-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.08
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690924) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690924
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cnc(N2CC(C(=O)O)CC2=O)nc1
InChIInChI=1S/C10H11N3O4/c1-17-7-3-11-10(12-4-7)13-5-6(9(15)16)2-8(13)14/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyJPAOOYAQXLZDFN-UHFFFAOYSA-N
XLogP-0.08
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 164629697
(3S,4S)-1-[(5-methoxypyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122092505
(3S,4S)-1-[(5-methoxypyrimidin-4-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122093656
1-(5-Fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690888
3-(5-Methoxypyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91413562
2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
CID 140625290
(3aS*,6aS*)-2-(N,N-dimethylglycyl)-5-(5-methoxy-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
CID 72889134
(3aR,6aR)-2-ethyl-5-(5-methoxypyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72919396
(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72936986
1-(5-Methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 84773073
3-(5-Methoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 84773888
3-(5-Methoxypyrimidin-2-yl)butanoic acid
CID 84773889

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690924) is 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid is COc1cnc(N2CC(C(=O)O)CC2=O)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JPAOOYAQXLZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-7-3-11-10(12-4-7)13-5-6(9(15)16)2-8(13)14/h3-4,6H,2,5H2,1H3,(H,15,16).
What are the key properties of 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).