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

C11H14N2O3 — CID 83858509

IUPAC1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H14N2O3/c1-7-6-8(13-10(16)12-7)11(9(14)15)4-2-3-5-11/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyBILAVUBZUVPYMD-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.97
Rot. Bonds2

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

1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 83858509) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid
PubChem CID83858509
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H14N2O3/c1-7-6-8(13-10(16)12-7)11(9(14)15)4-2-3-5-11/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyBILAVUBZUVPYMD-UHFFFAOYSA-N
XLogP0.97
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid (CID 83858509) is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCC2)nc(=O)[nH]1.
What is the InChIKey of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BILAVUBZUVPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-8(13-10(16)12-7)11(9(14)15)4-2-3-5-11/h6H,2-5H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid?
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83858509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).