1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C11H13N3O5 — CID 81157684

IUPAC1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O5/c15-7-4-6(12-10(19)13-7)5-8(16)14-11(9(17)18)2-1-3-11/h4H,1-3,5H2,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyOLQBYOBLTJPZJA-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.27
Rot. Bonds4

About 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81157684) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81157684
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O5/c15-7-4-6(12-10(19)13-7)5-8(16)14-11(9(17)18)2-1-3-11/h4H,1-3,5H2,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyOLQBYOBLTJPZJA-UHFFFAOYSA-N
XLogP-1.27
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81157684) is 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is OLQBYOBLTJPZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-4-6(12-10(19)13-7)5-8(16)14-11(9(17)18)2-1-3-11/h4H,1-3,5H2,(H,14,16)(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).