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

C10H13N3O3 — CID 136958831

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-6-11-8(4-9(14)12-6)13-3-2-7(5-13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyBOPVQDBCBCOMRC-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.01
Rot. Bonds2

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

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958831) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958831
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O3/c1-6-11-8(4-9(14)12-6)13-3-2-7(5-13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyBOPVQDBCBCOMRC-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958831) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Cc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BOPVQDBCBCOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-8(4-9(14)12-6)13-3-2-7(5-13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).