3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C12H15N3O5 — CID 66032113

IUPAC3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-15(12(20)14-9)6-10(17)13-8-2-1-7(5-8)11(18)19/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeyRFAVKENCSJGSAC-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.09
Rot. Bonds4

About 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66032113) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66032113
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-15(12(20)14-9)6-10(17)13-8-2-1-7(5-8)11(18)19/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeyRFAVKENCSJGSAC-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 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66032113) is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RFAVKENCSJGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-4-15(12(20)14-9)6-10(17)13-8-2-1-7(5-8)11(18)19/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,18,19)(H,14,16,20).
What are the key properties of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[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 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).