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

C11H15N3O3 — CID 136958520

IUPAC2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1cc(=O)[nH]cn1)C1CCCC1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(12-7-13-10)14(6-11(16)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,16,17)(H,12,13,15)
InChIKeySZCRTRIXUYLHQX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds4

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

2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958520) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958520
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1cc(=O)[nH]cn1)C1CCCC1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(12-7-13-10)14(6-11(16)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,16,17)(H,12,13,15)
InChIKeySZCRTRIXUYLHQX-UHFFFAOYSA-N
XLogP0.60
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958520) is 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(c1cc(=O)[nH]cn1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is SZCRTRIXUYLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-5-9(12-7-13-10)14(6-11(16)17)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,16,17)(H,12,13,15).
What are the key properties of 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).