1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C12H15N3O4 — CID 43360222

IUPAC1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O4/c16-9(8-15-7-3-6-13-11(15)19)14-12(10(17)18)4-1-2-5-12/h3,6-7H,1-2,4-5,8H2,(H,14,16)(H,17,18)
InChIKeyHJNFRIDOZSWQGA-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.24
Rot. Bonds4

About 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43360222) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43360222
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H15N3O4/c16-9(8-15-7-3-6-13-11(15)19)14-12(10(17)18)4-1-2-5-12/h3,6-7H,1-2,4-5,8H2,(H,14,16)(H,17,18)
InChIKeyHJNFRIDOZSWQGA-UHFFFAOYSA-N
XLogP-0.24
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43360222) is 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1cccnc1=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HJNFRIDOZSWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-9(8-15-7-3-6-13-11(15)19)14-12(10(17)18)4-1-2-5-12/h3,6-7H,1-2,4-5,8H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).