6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C13H19N3O5 — CID 43352930

IUPAC6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCn1c(=O)ccn(CC(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-11(18)6-8-16(13(15)21)9-10(17)14-7-4-2-3-5-12(19)20/h6,8H,2-5,7,9H2,1H3,(H,14,17)(H,19,20)
InChIKeySSLGDSWHLVFYKJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.69
Rot. Bonds8

About 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid

6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 43352930) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID43352930
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCn1c(=O)ccn(CC(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-11(18)6-8-16(13(15)21)9-10(17)14-7-4-2-3-5-12(19)20/h6,8H,2-5,7,9H2,1H3,(H,14,17)(H,19,20)
InChIKeySSLGDSWHLVFYKJ-UHFFFAOYSA-N
XLogP-0.69
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 43352930) is 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid is Cn1c(=O)ccn(CC(=O)NCCCCCC(=O)O)c1=O.
What is the InChIKey of 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is SSLGDSWHLVFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15-11(18)6-8-16(13(15)21)9-10(17)14-7-4-2-3-5-12(19)20/h6,8H,2-5,7,9H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43352930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).