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

C13H17N3O5 — CID 64812833

IUPAC2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2CCCC2C(=O)O)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-11(18)5-6-16(13(15)21)7-10(17)14-9-4-2-3-8(9)12(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,19,20)
InChIKeyAHLVYAMSUPUZIK-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.08
Rot. Bonds4

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

2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64812833) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64812833
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2CCCC2C(=O)O)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-11(18)5-6-16(13(15)21)7-10(17)14-9-4-2-3-8(9)12(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,19,20)
InChIKeyAHLVYAMSUPUZIK-UHFFFAOYSA-N
XLogP-1.08
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64812833) is 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cn1c(=O)ccn(CC(=O)NC2CCCC2C(=O)O)c1=O.
What is the InChIKey of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AHLVYAMSUPUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15-11(18)5-6-16(13(15)21)7-10(17)14-9-4-2-3-8(9)12(19)20/h5-6,8-9H,2-4,7H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).