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

C13H17N3O5 — CID 43169544

IUPAC1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-10(18)4-7-16(12(15)21)8-9(17)14-13(11(19)20)5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3,(H,14,17)(H,19,20)
InChIKeyYTSWRBBOZFHGGR-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.94
Rot. Bonds4

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

1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43169544) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43169544
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-15-10(18)4-7-16(12(15)21)8-9(17)14-13(11(19)20)5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3,(H,14,17)(H,19,20)
InChIKeyYTSWRBBOZFHGGR-UHFFFAOYSA-N
XLogP-0.94
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43169544) is 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCCC2)c1=O.
What is the InChIKey of 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YTSWRBBOZFHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15-10(18)4-7-16(12(15)21)8-9(17)14-13(11(19)20)5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).