1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H21N3O4 — CID 72843008

IUPAC1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C17H21N3O4/c1-19-14(21)11-13(15(22)23)17(19)7-9-20(10-8-17)16(24)18-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyMRVJVQXAFAJTCQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72843008) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72843008
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C17H21N3O4/c1-19-14(21)11-13(15(22)23)17(19)7-9-20(10-8-17)16(24)18-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,24)(H,22,23)
InChIKeyMRVJVQXAFAJTCQ-UHFFFAOYSA-N
XLogP1.62
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72843008) is 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is MRVJVQXAFAJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-19-14(21)11-13(15(22)23)17(19)7-9-20(10-8-17)16(24)18-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72843008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).