2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H27N3O5 — CID 72847940

IUPAC2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(CC(=O)N3CCOCC3)CC2)CC1C(=O)O
InChIInChI=1S/C17H27N3O5/c1-13(21)20-12-17(10-14(20)16(23)24)2-4-18(5-3-17)11-15(22)19-6-8-25-9-7-19/h14H,2-12H2,1H3,(H,23,24)
InChIKeyXKBABHAOVDUYIM-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.37
Rot. Bonds3

About 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72847940) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72847940
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(CC(=O)N3CCOCC3)CC2)CC1C(=O)O
InChIInChI=1S/C17H27N3O5/c1-13(21)20-12-17(10-14(20)16(23)24)2-4-18(5-3-17)11-15(22)19-6-8-25-9-7-19/h14H,2-12H2,1H3,(H,23,24)
InChIKeyXKBABHAOVDUYIM-UHFFFAOYSA-N
XLogP-0.37
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72847940) is 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(CC(=O)N3CCOCC3)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XKBABHAOVDUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-13(21)20-12-17(10-14(20)16(23)24)2-4-18(5-3-17)11-15(22)19-6-8-25-9-7-19/h14H,2-12H2,1H3,(H,23,24).
What are the key properties of 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(2-morpholin-4-yl-2-oxoethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72847940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).