2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C11H17N3O4 — CID 136959299

IUPAC2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)14-8-7(18-3)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyLLJLWOLKXHKABQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.83
Rot. Bonds6

About 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136959299) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136959299
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)14-8-7(18-3)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyLLJLWOLKXHKABQ-UHFFFAOYSA-N
XLogP0.83
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

3,3,3-trifluoro-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136959294
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136938548
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958407
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958429
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958436
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958474
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958603
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958614
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958668
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136959299) is 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is CCC(CC)(Nc1nc[nH]c(=O)c1OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is LLJLWOLKXHKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)14-8-7(18-3)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).