2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid

C14H21N3O4 — CID 62817885

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cc1c(C)nc(=O)[nH]c1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-6-17(14(4,5)12(19)20)11(18)7-10-8(2)15-13(21)16-9(10)3/h6-7H2,1-5H3,(H,19,20)(H,15,16,21)
InChIKeyHVERIANVNWXYTO-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.64
Rot. Bonds5

About 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62817885) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62817885
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cc1c(C)nc(=O)[nH]c1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-6-17(14(4,5)12(19)20)11(18)7-10-8(2)15-13(21)16-9(10)3/h6-7H2,1-5H3,(H,19,20)(H,15,16,21)
InChIKeyHVERIANVNWXYTO-UHFFFAOYSA-N
XLogP0.64
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid (CID 62817885) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)Cc1c(C)nc(=O)[nH]c1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is HVERIANVNWXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-6-17(14(4,5)12(19)20)11(18)7-10-8(2)15-13(21)16-9(10)3/h6-7H2,1-5H3,(H,19,20)(H,15,16,21).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62817885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).