4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid

C14H22N2O5 — CID 115291594

IUPAC4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(CN1CCCCCC1=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H22N2O5/c17-11(10-16-7-3-1-2-4-12(16)18)15-14(13(19)20)5-8-21-9-6-14/h1-10H2,(H,15,17)(H,19,20)
InChIKeyLOFGGZLKQUDUTE-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.14
Rot. Bonds4

About 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid

4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid (PubChem CID 115291594) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid
PubChem CID115291594
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(CN1CCCCCC1=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H22N2O5/c17-11(10-16-7-3-1-2-4-12(16)18)15-14(13(19)20)5-8-21-9-6-14/h1-10H2,(H,15,17)(H,19,20)
InChIKeyLOFGGZLKQUDUTE-UHFFFAOYSA-N
XLogP0.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43169373
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165176
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869869
N-(2-morpholin-4-ylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 17497069

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid (CID 115291594) is 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid is O=C(CN1CCCCCC1=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The InChIKey is LOFGGZLKQUDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-11(10-16-7-3-1-2-4-12(16)18)15-14(13(19)20)5-8-21-9-6-14/h1-10H2,(H,15,17)(H,19,20).
What are the key properties of 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid?
4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).