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

C9H11N3O3 — CID 136958526

IUPAC2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12(4-9(14)15)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyLOLMHNKKMLHGIL-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.18
Rot. Bonds4

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

2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958526) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958526
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12(4-9(14)15)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyLOLMHNKKMLHGIL-UHFFFAOYSA-N
XLogP-0.18
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958526) is 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(c1cc(=O)[nH]cn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is LOLMHNKKMLHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12(4-9(14)15)6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13).
What are the key properties of 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 209.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).