2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 136959003

IUPAC2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16)3-2-4-13(10)7-5-8(14)12-6-11-7/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyGLXLJEHJXUTOTM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.21
Rot. Bonds2

About 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136959003) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136959003
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16)3-2-4-13(10)7-5-8(14)12-6-11-7/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyGLXLJEHJXUTOTM-UHFFFAOYSA-N
XLogP0.21
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792242
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792244
1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792245
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 136880682
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880683
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958318
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958320
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 136958592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136959003) is 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is GLXLJEHJXUTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(9(15)16)3-2-4-13(10)7-5-8(14)12-6-11-7/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136959003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).