8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H21ClN2O4 — CID 72873553

IUPAC8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H21ClN2O4/c1-11-12(4-3-5-14(11)19)16(23)21-8-6-18(7-9-21)13(17(24)25)10-15(22)20(18)2/h3-5,13H,6-10H2,1-2H3,(H,24,25)
InChIKeySCMKIYHCQLFQGR-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.19
Rot. Bonds2

About 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72873553) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72873553
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H21ClN2O4/c1-11-12(4-3-5-14(11)19)16(23)21-8-6-18(7-9-21)13(17(24)25)10-15(22)20(18)2/h3-5,13H,6-10H2,1-2H3,(H,24,25)
InChIKeySCMKIYHCQLFQGR-UHFFFAOYSA-N
XLogP2.19
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
(4R)-1-methyl-2-oxo-8-(quinoxaline-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 125161889
(4S)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194960
(4R)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194961
(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207241
(4R)-1-methyl-2-oxo-8-(1H-pyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97116763
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72837196
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(4S)-1-methyl-2-oxo-8-(5-phenylpentanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188282
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
8-(1-benzylpiperidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886032
(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188485

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72873553) is 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C.
What is the InChIKey of 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is SCMKIYHCQLFQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-12(4-3-5-14(11)19)16(23)21-8-6-18(7-9-21)13(17(24)25)10-15(22)20(18)2/h3-5,13H,6-10H2,1-2H3,(H,24,25).
What are the key properties of 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 364.83 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-methylbenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72873553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).