2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid

C14H20N4O3 — CID 140625309

IUPAC2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1
InChIInChI=1S/C14H20N4O3/c1-4-10-5-15-13(16-6-10)18-7-11(9(2)3)17(14(18)21)8-12(19)20/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyDEYKJMXIHDZYNH-LLVKDONJSA-N
MW292.34 g/mol
LogP1.39
Rot. Bonds5

About 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid

2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (PubChem CID 140625309) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
PubChem CID140625309
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1
InChIInChI=1S/C14H20N4O3/c1-4-10-5-15-13(16-6-10)18-7-11(9(2)3)17(14(18)21)8-12(19)20/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyDEYKJMXIHDZYNH-LLVKDONJSA-N
XLogP1.39
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (CID 140625309) is 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is CCc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1.
What is the InChIKey of 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The InChIKey is DEYKJMXIHDZYNH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-10-5-15-13(16-6-10)18-7-11(9(2)3)17(14(18)21)8-12(19)20/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 140625309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).