3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid

C10H15N3O3 — CID 136958819

IUPAC3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-3-13(5-7(2)10(15)16)8-4-9(14)12-6-11-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyPCZLXHJWVJNGFE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.32
Rot. Bonds5

About 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid

3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 136958819) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID136958819
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-3-13(5-7(2)10(15)16)8-4-9(14)12-6-11-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyPCZLXHJWVJNGFE-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 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 136958819) is 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1cc(=O)[nH]cn1.
What is the InChIKey of 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is PCZLXHJWVJNGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(5-7(2)10(15)16)8-4-9(14)12-6-11-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic 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 3-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 136958819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).