1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

C11H14N2O3 — CID 82235164

IUPAC1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(=O)n(C2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(14)13(7-12-8)11(10(15)16)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyWAESLNIINFCECX-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.91
Rot. Bonds2

About 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82235164) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82235164
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(=O)n(C2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(14)13(7-12-8)11(10(15)16)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyWAESLNIINFCECX-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (CID 82235164) is 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is Cc1cc(=O)n(C2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is WAESLNIINFCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-6-9(14)13(7-12-8)11(10(15)16)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82235164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).