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

C11H16N4O3 — CID 136958519

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid
SMILESNc1c(N(CC(=O)O)C2CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15(5-8(16)17)7-3-1-2-4-7/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyPMYABNRFJDZXOY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.19
Rot. Bonds4

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid (PubChem CID 136958519) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid
PubChem CID136958519
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid
SMILESNc1c(N(CC(=O)O)C2CCCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15(5-8(16)17)7-3-1-2-4-7/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyPMYABNRFJDZXOY-UHFFFAOYSA-N
XLogP0.19
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745655
5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781037
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 136958476
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958500
2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958520
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
CID 136958525
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-butan-2-ylamino]acetic acid
CID 136958532
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958561
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958568
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoic acid
CID 136958765

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid (CID 136958519) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid is Nc1c(N(CC(=O)O)C2CCCC2)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid?
The InChIKey is PMYABNRFJDZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15(5-8(16)17)7-3-1-2-4-7/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 136958519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).