10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid

C15H24N2O7 — CID 142957536

IUPAC10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid
SMILESCCOC(=O)CN1CCC(=O)OCN(C(=O)O)CCCCCC1=O
InChIInChI=1S/C15H24N2O7/c1-2-23-14(20)10-16-9-7-13(19)24-11-17(15(21)22)8-5-3-4-6-12(16)18/h2-11H2,1H3,(H,21,22)
InChIKeyCKLODRZCGQNNMO-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.82
Rot. Bonds3

About 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid

10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid (PubChem CID 142957536) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid.

Molecular Properties

Compound Name10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid
PubChem CID142957536
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Name10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid
SMILESCCOC(=O)CN1CCC(=O)OCN(C(=O)O)CCCCCC1=O
InChIInChI=1S/C15H24N2O7/c1-2-23-14(20)10-16-9-7-13(19)24-11-17(15(21)22)8-5-3-4-6-12(16)18/h2-11H2,1H3,(H,21,22)
InChIKeyCKLODRZCGQNNMO-UHFFFAOYSA-N
XLogP0.82
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid with MolForge

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Related Compounds

1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
[(E)-3-chloroprop-2-enyl] 2-(2-oxoazepan-1-yl)acetate
CID 75412929
ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
CID 22008730
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 8603134
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959

Frequently Asked Questions

What is the IUPAC name of 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid?
The IUPAC name of 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid (CID 142957536) is 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid.
What is the SMILES notation for 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid?
The canonical SMILES for 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid is CCOC(=O)CN1CCC(=O)OCN(C(=O)O)CCCCCC1=O.
What is the InChIKey of 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid?
The InChIKey is CKLODRZCGQNNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-2-23-14(20)10-16-9-7-13(19)24-11-17(15(21)22)8-5-3-4-6-12(16)18/h2-11H2,1H3,(H,21,22).
What are the key properties of 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid?
10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid has a molecular weight of 344.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-ethoxy-2-oxoethyl)-9,13-dioxo-1-oxa-3,10-diazacyclotridecane-3-carboxylic acid is sourced from PubChem (CID 142957536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).