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

C14H19N3O4 — CID 64670572

IUPAC2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cccnc2=O)CCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(10-17-8-4-7-15-13(17)21)16-14(9-12(19)20)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,16,18)(H,19,20)
InChIKeyIFMJZUQMXHDQFO-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.54
Rot. Bonds5

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

2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 64670572) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
PubChem CID64670572
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cccnc2=O)CCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(10-17-8-4-7-15-13(17)21)16-14(9-12(19)20)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,16,18)(H,19,20)
InChIKeyIFMJZUQMXHDQFO-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid (CID 64670572) is 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)Cn2cccnc2=O)CCCCC1.
What is the InChIKey of 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is IFMJZUQMXHDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-11(10-17-8-4-7-15-13(17)21)16-14(9-12(19)20)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64670572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).