2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

C11H15N3O4S — CID 54900843

IUPAC2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4S/c1-4-14(5-7(15)16)10(17)8-6(2)12-11(18)13-9(8)19-3/h4-5H2,1-3H3,(H,15,16)(H,12,13,18)
InChIKeyMVOKBUOWENYOIR-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.35
Rot. Bonds5

About 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 54900843) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
PubChem CID54900843
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4S/c1-4-14(5-7(15)16)10(17)8-6(2)12-11(18)13-9(8)19-3/h4-5H2,1-3H3,(H,15,16)(H,12,13,18)
InChIKeyMVOKBUOWENYOIR-UHFFFAOYSA-N
XLogP0.35
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (CID 54900843) is 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is MVOKBUOWENYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-4-14(5-7(15)16)10(17)8-6(2)12-11(18)13-9(8)19-3/h4-5H2,1-3H3,(H,15,16)(H,12,13,18).
What are the key properties of 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 54900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).