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

C12H15N3O5 — CID 64812467

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9(4-6-5-10(17)15-12(20)13-6)14-8-3-1-2-7(8)11(18)19/h5,7-8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyMUJIEUNNIONRLD-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.02
Rot. Bonds4

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64812467) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64812467
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9(4-6-5-10(17)15-12(20)13-6)14-8-3-1-2-7(8)11(18)19/h5,7-8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyMUJIEUNNIONRLD-UHFFFAOYSA-N
XLogP-1.02
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64812467) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MUJIEUNNIONRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9(4-6-5-10(17)15-12(20)13-6)14-8-3-1-2-7(8)11(18)19/h5,7-8H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).