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

C12H15N3O5 — CID 43172477

IUPAC1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-3-6-15(11(20)13-8)7-9(17)14-12(10(18)19)4-1-2-5-12/h3,6H,1-2,4-5,7H2,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyMNBVKKXTDSKXRZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.95
Rot. Bonds4

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

1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43172477) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43172477
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O5/c16-8-3-6-15(11(20)13-8)7-9(17)14-12(10(18)19)4-1-2-5-12/h3,6H,1-2,4-5,7H2,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyMNBVKKXTDSKXRZ-UHFFFAOYSA-N
XLogP-0.95
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 ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43172477) is 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MNBVKKXTDSKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-3-6-15(11(20)13-8)7-9(17)14-12(10(18)19)4-1-2-5-12/h3,6H,1-2,4-5,7H2,(H,14,17)(H,18,19)(H,13,16,20).
What are the key properties of 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).