2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C12H15N3O5 — CID 64812215

IUPAC2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9-4-5-15(12(20)14-9)6-10(17)13-8-3-1-2-7(8)11(18)19/h4-5,7-8H,1-3,6H2,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeySPZDGUYLHDTBPI-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.09
Rot. Bonds4

About 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64812215) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64812215
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9-4-5-15(12(20)14-9)6-10(17)13-8-3-1-2-7(8)11(18)19/h4-5,7-8H,1-3,6H2,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeySPZDGUYLHDTBPI-UHFFFAOYSA-N
XLogP-1.09
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64812215) is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is SPZDGUYLHDTBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-4-5-15(12(20)14-9)6-10(17)13-8-3-1-2-7(8)11(18)19/h4-5,7-8H,1-3,6H2,(H,13,17)(H,18,19)(H,14,16,20).
What are the key properties of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).