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

C15H24N2O4 — CID 43169373

IUPAC1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCCCC1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H24N2O4/c18-12(11-17-10-6-1-3-7-13(17)19)16-15(14(20)21)8-4-2-5-9-15/h1-11H2,(H,16,18)(H,20,21)
InChIKeyYJZVMAXWSLXIRX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.29
Rot. Bonds4

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

1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43169373) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43169373
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCCCC1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H24N2O4/c18-12(11-17-10-6-1-3-7-13(17)19)16-15(14(20)21)8-4-2-5-9-15/h1-11H2,(H,16,18)(H,20,21)
InChIKeyYJZVMAXWSLXIRX-UHFFFAOYSA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291594
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635
2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165176
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
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
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43169373) is 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CN1CCCCCC1=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YJZVMAXWSLXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-12(11-17-10-6-1-3-7-13(17)19)16-15(14(20)21)8-4-2-5-9-15/h1-11H2,(H,16,18)(H,20,21).
What are the key properties of 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43169373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).