3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C10H14N4O3 — CID 136959160

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(NC2CCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyIBPOYYBPTGARND-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds3

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136959160) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136959160
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(NC2CCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyIBPOYYBPTGARND-UHFFFAOYSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136959160) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Nc1c(NC2CCC(C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IBPOYYBPTGARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136959160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).