2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid

C11H19NO4 — CID 91920316

IUPAC2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
SMILESCOCCN1CCCCC(CC(=O)O)C1=O
InChIInChI=1S/C11H19NO4/c1-16-7-6-12-5-3-2-4-9(11(12)15)8-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOOKCGUCVDJYZBF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds5

About 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid

2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid (PubChem CID 91920316) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
PubChem CID91920316
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
SMILESCOCCN1CCCCC(CC(=O)O)C1=O
InChIInChI=1S/C11H19NO4/c1-16-7-6-12-5-3-2-4-9(11(12)15)8-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOOKCGUCVDJYZBF-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284451
2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]acetic acid
CID 13457782
1-[2-(dimethylamino)ethyl]-3-(methylamino)azepan-2-one;1-(2-methoxyethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-oxopropyl)azepan-2-one
CID 91397696
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
2-(3-butyl-2-oxoazepan-1-yl)acetic acid
CID 173395720
tert-butyl 2-[(3R)-2-oxo-1-(2-oxopropyl)azepan-3-yl]acetate
CID 158907493
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
2-[(4R)-1-(2-methoxyethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676645
2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
5-(3,3-dimethylbut-1-ynyl)-3-[[1-(2-methoxyethyl)-2-oxoazepan-3-yl]amino]thiophene-2-carboxylic acid
CID 66655674
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
4-[[4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024221

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid (CID 91920316) is 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid is COCCN1CCCCC(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid?
The InChIKey is OOKCGUCVDJYZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-7-6-12-5-3-2-4-9(11(12)15)8-10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid?
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid is sourced from PubChem (CID 91920316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).