5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C12H17N3O4 — CID 82854161

IUPAC5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(4-2-5-11(17)18)14-10(16)8-15-7-3-6-13-12(15)19/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUVIBUWLSRDTOHL-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds7

About 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 82854161) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID82854161
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(4-2-5-11(17)18)14-10(16)8-15-7-3-6-13-12(15)19/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUVIBUWLSRDTOHL-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 82854161) is 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cn1cccnc1=O.
What is the InChIKey of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is UVIBUWLSRDTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(4-2-5-11(17)18)14-10(16)8-15-7-3-6-13-12(15)19/h3,6-7,9H,2,4-5,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82854161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).