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

C10H13N3O3 — CID 136959258

IUPAC2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c1-6-7(10(15)16)2-3-13(6)8-4-9(14)12-5-11-8/h4-7H,2-3H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyRJJKJXINAQKMHX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136959258) 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-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136959258
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c1-6-7(10(15)16)2-3-13(6)8-4-9(14)12-5-11-8/h4-7H,2-3H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyRJJKJXINAQKMHX-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 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136959258) is 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RJJKJXINAQKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(10(15)16)2-3-13(6)8-4-9(14)12-5-11-8/h4-7H,2-3H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
2-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 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).