3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C10H13N3O3 — CID 136958878

IUPAC3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16)2-3-13(5-10)7-4-8(14)12-6-11-7/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyAPLLKYUZHWEYOX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958878) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958878
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16)2-3-13(5-10)7-4-8(14)12-6-11-7/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyAPLLKYUZHWEYOX-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958878) is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is APLLKYUZHWEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(9(15)16)2-3-13(5-10)7-4-8(14)12-6-11-7/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).