2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid

C14H19N3O4 — CID 79844641

IUPAC2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)6-11(18)17-14(4-3-5-14)7-12(19)20/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyYMOQBBFGHQOCNW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.44
Rot. Bonds5

About 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79844641) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79844641
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)6-11(18)17-14(4-3-5-14)7-12(19)20/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyYMOQBBFGHQOCNW-UHFFFAOYSA-N
XLogP0.44
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid (CID 79844641) is 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is YMOQBBFGHQOCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-10(9(2)16-13(21)15-8)6-11(18)17-14(4-3-5-14)7-12(19)20/h3-7H2,1-2H3,(H,17,18)(H,19,20)(H,15,16,21).
What are the key properties of 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).