2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

C14H19N3O4 — CID 61015146

IUPAC2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(Cn1cccnc1=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(9-17-8-4-7-15-14(17)21)16-12(13(19)20)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,18)(H,19,20)
InChIKeyYFQDSMUHNHERLJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.39
Rot. Bonds5

About 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 61015146) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID61015146
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(Cn1cccnc1=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(9-17-8-4-7-15-14(17)21)16-12(13(19)20)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,18)(H,19,20)
InChIKeyYFQDSMUHNHERLJ-UHFFFAOYSA-N
XLogP0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 61015146) is 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is O=C(Cn1cccnc1=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is YFQDSMUHNHERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-11(9-17-8-4-7-15-14(17)21)16-12(13(19)20)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 61015146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).