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

C10H13N3O3 — CID 83857333

IUPAC1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCCC2)[nH]c(=O)n1
InChIInChI=1S/C10H13N3O3/c11-7-5-6(12-9(16)13-7)10(8(14)15)3-1-2-4-10/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyRUXFVTGVAXVDOE-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds2

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

1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 83857333) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid
PubChem CID83857333
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCCC2)[nH]c(=O)n1
InChIInChI=1S/C10H13N3O3/c11-7-5-6(12-9(16)13-7)10(8(14)15)3-1-2-4-10/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyRUXFVTGVAXVDOE-UHFFFAOYSA-N
XLogP0.25
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid (CID 83857333) is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid is Nc1cc(C2(C(=O)O)CCCC2)[nH]c(=O)n1.
What is the InChIKey of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is RUXFVTGVAXVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-7-5-6(12-9(16)13-7)10(8(14)15)3-1-2-4-10/h5H,1-4H2,(H,14,15)(H3,11,12,13,16).
What are the key properties of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid?
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83857333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).