2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

C11H15N3O4 — CID 167930644

IUPAC2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-12-5-7(8(15)13-6)9(16)14(4)11(2,3)10(17)18/h5H,1-4H3,(H,17,18)(H,12,13,15)
InChIKeyPCTARWRMVZRKER-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.01
Rot. Bonds3

About 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 167930644) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID167930644
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-12-5-7(8(15)13-6)9(16)14(4)11(2,3)10(17)18/h5H,1-4H3,(H,17,18)(H,12,13,15)
InChIKeyPCTARWRMVZRKER-UHFFFAOYSA-N
XLogP0.01
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (CID 167930644) is 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is Cc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is PCTARWRMVZRKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-12-5-7(8(15)13-6)9(16)14(4)11(2,3)10(17)18/h5H,1-4H3,(H,17,18)(H,12,13,15).
What are the key properties of 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167930644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).