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

C9H11N3O3 — CID 136958446

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-4-8(14)15)11-9(12-7)5-1-2-5/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyONFYANUPJRVSBA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.14
Rot. Bonds4

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958446) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958446
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H11N3O3/c13-7-3-6(10-4-8(14)15)11-9(12-7)5-1-2-5/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyONFYANUPJRVSBA-UHFFFAOYSA-N
XLogP0.14
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958446) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is ONFYANUPJRVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-7-3-6(10-4-8(14)15)11-9(12-7)5-1-2-5/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).