2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C11H15N3O3 — CID 84700009

IUPAC2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CCCC2)c1CC(=O)O
InChIInChI=1S/C11H15N3O3/c12-10-7(5-8(15)16)9(13-11(17)14-10)6-3-1-2-4-6/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyYTMQHFVMBHKZGB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84700009) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84700009
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CCCC2)c1CC(=O)O
InChIInChI=1S/C11H15N3O3/c12-10-7(5-8(15)16)9(13-11(17)14-10)6-3-1-2-4-6/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyYTMQHFVMBHKZGB-UHFFFAOYSA-N
XLogP0.64
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84700009) is 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is Nc1nc(=O)[nH]c(C2CCCC2)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is YTMQHFVMBHKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10-7(5-8(15)16)9(13-11(17)14-10)6-3-1-2-4-6/h6H,1-5H2,(H,15,16)(H3,12,13,14,17).
What are the key properties of 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84700009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).