2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

C12H17N3O4 — CID 166393135

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-5-8-13-6-7(9(16)14-8)10(17)15(4)12(2,3)11(18)19/h6H,5H2,1-4H3,(H,18,19)(H,13,14,16)
InChIKeyNPFPTXNLCLTNGB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.27
Rot. Bonds4

About 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 166393135) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID166393135
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-5-8-13-6-7(9(16)14-8)10(17)15(4)12(2,3)11(18)19/h6H,5H2,1-4H3,(H,18,19)(H,13,14,16)
InChIKeyNPFPTXNLCLTNGB-UHFFFAOYSA-N
XLogP0.27
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 166393135) is 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is CCc1ncc(C(=O)N(C)C(C)(C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is NPFPTXNLCLTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-5-8-13-6-7(9(16)14-8)10(17)15(4)12(2,3)11(18)19/h6H,5H2,1-4H3,(H,18,19)(H,13,14,16).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 166393135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).