1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

C10H12N2O3 — CID 82235586

IUPAC1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccnc2=O)CCCC1
InChIInChI=1S/C10H12N2O3/c13-8(14)10(4-1-2-5-10)12-7-3-6-11-9(12)15/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyJBMBXUFTXAUHNB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.60
Rot. Bonds2

About 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82235586) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82235586
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccnc2=O)CCCC1
InChIInChI=1S/C10H12N2O3/c13-8(14)10(4-1-2-5-10)12-7-3-6-11-9(12)15/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyJBMBXUFTXAUHNB-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
1-(2-Oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235599
2-Cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 82237015
2-Ethyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 82239096
2-(2-Oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 84015468
4-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 84015609
3-[(2-Oxopyrimidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 84016647
2-(2-Oxopyrimidin-1-yl)-2-propylpentanoic acid
CID 93826743
2-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 104594983
2,4-Dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114987523
2-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114989456
2,5-Dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
CID 114990602

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (CID 82235586) is 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(n2cccnc2=O)CCCC1.
What is the InChIKey of 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JBMBXUFTXAUHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8(14)10(4-1-2-5-10)12-7-3-6-11-9(12)15/h3,6-7H,1-2,4-5H2,(H,13,14).
What are the key properties of 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82235586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).