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

C10H15N3O3 — CID 136958533

IUPAC2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-3-7(2)13(5-10(15)16)8-4-9(14)12-6-11-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyJUUYQPMSIVTTFG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.46
Rot. Bonds5

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

2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958533) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958533
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-3-7(2)13(5-10(15)16)8-4-9(14)12-6-11-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyJUUYQPMSIVTTFG-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958533) is 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is JUUYQPMSIVTTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7(2)13(5-10(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 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).