1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H11N3O3 — CID 82676747

IUPAC1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccnc(N2CC(C(=O)O)CC2=O)n1
InChIInChI=1S/C10H11N3O3/c1-6-2-3-11-10(12-6)13-5-7(9(15)16)4-8(13)14/h2-3,7H,4-5H2,1H3,(H,15,16)
InChIKeyLKWWPNWIJQWMGH-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.22
Rot. Bonds2

About 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82676747) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82676747
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccnc(N2CC(C(=O)O)CC2=O)n1
InChIInChI=1S/C10H11N3O3/c1-6-2-3-11-10(12-6)13-5-7(9(15)16)4-8(13)14/h2-3,7H,4-5H2,1H3,(H,15,16)
InChIKeyLKWWPNWIJQWMGH-UHFFFAOYSA-N
XLogP0.22
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 82676747) is 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid is Cc1ccnc(N2CC(C(=O)O)CC2=O)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LKWWPNWIJQWMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-2-3-11-10(12-6)13-5-7(9(15)16)4-8(13)14/h2-3,7H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82676747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).