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

C11H16N4O3 — CID 136959037

IUPAC2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESNc1c(NC2(CC(=O)O)CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-6-14-10(8)18)15-11(5-7(16)17)3-1-2-4-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,15,18)
InChIKeyWGKDTOXDJJASAU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.55
Rot. Bonds4

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

2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid (PubChem CID 136959037) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
PubChem CID136959037
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
SMILESNc1c(NC2(CC(=O)O)CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-6-14-10(8)18)15-11(5-7(16)17)3-1-2-4-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,15,18)
InChIKeyWGKDTOXDJJASAU-UHFFFAOYSA-N
XLogP0.55
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]heptanoic acid
CID 136958383
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958605
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cycloheptane-1-carboxylic acid
CID 136958615
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 136958621
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 136958627
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958834
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 136958979
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-ethylhexanoic acid
CID 136958985
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]heptanoic acid
CID 136958990
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
CID 136958995
2-[1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 136959038
2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexyl]acetic acid
CID 136959050

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid (CID 136959037) is 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid is Nc1c(NC2(CC(=O)O)CCCC2)nc[nH]c1=O.
What is the InChIKey of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
The InChIKey is WGKDTOXDJJASAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8-9(13-6-14-10(8)18)15-11(5-7(16)17)3-1-2-4-11/h6H,1-5,12H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid?
2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 136959037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).