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

C13H17N3O5 — CID 66030140

IUPAC3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2CCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-11(18)4-5-16(13(15)21)7-10(17)14-9-3-2-8(6-9)12(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyVJKUJHUDJHGSLN-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.08
Rot. Bonds4

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

3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030140) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030140
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2CCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-11(18)4-5-16(13(15)21)7-10(17)14-9-3-2-8(6-9)12(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyVJKUJHUDJHGSLN-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

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

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Related Compounds

1-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43169544
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810355
3-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63044199
6-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methylhexanoic acid
CID 64364316
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812215
2-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812833
2-[[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897986
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030548
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031099
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031305
3-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032113
3-[1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]propanoic acid
CID 81720858

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66030140) is 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cn1c(=O)ccn(CC(=O)NC2CCC(C(=O)O)C2)c1=O.
What is the InChIKey of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VJKUJHUDJHGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15-11(18)4-5-16(13(15)21)7-10(17)14-9-3-2-8(6-9)12(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[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 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).