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

C10H15N3O3 — CID 136958841

IUPAC2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)4-13(5-10(15)16)8-3-9(14)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyGFNXFDPCUWMJNB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.32
Rot. Bonds5

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

2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958841) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958841
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)4-13(5-10(15)16)8-3-9(14)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyGFNXFDPCUWMJNB-UHFFFAOYSA-N
XLogP0.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958841) is 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CC(C)CN(CC(=O)O)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is GFNXFDPCUWMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)4-13(5-10(15)16)8-3-9(14)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).