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

C17H20Cl2N2O3 — CID 72929508

IUPAC8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C17H20Cl2N2O3/c1-20-15(22)9-12(16(23)24)17(20)4-6-21(7-5-17)10-11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,23,24)
InChIKeyJRNUCXHJAKAASM-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.89
Rot. Bonds3

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

8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72929508) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72929508
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C17H20Cl2N2O3/c1-20-15(22)9-12(16(23)24)17(20)4-6-21(7-5-17)10-11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,23,24)
InChIKeyJRNUCXHJAKAASM-UHFFFAOYSA-N
XLogP2.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

(4aR,8S,8aR)-2-[(3,4-dichlorophenyl)methyl]-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylic acid
CID 16059875
methyl (4aR,8S,8aR)-2-[(3,4-dichlorophenyl)methyl]-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxylate
CID 16059880
8-(5-Chloro-2-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72845876
8-(2-Chloro-5-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72855383
8-(2-Chloro-4-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72865526
8-(4-Chloro-2-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72865752
8-(3-Chloro-4-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72892971
8-(4-Chloro-3-fluorobenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72905176
8-(6-Chloro-2-fluoro-3-methylbenzyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72936935
8-{[(4-Chlorobenzyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72939735
Methyl 8-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45206169
8-(3-Chloro-4-fluorobenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72863029

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72929508) is 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JRNUCXHJAKAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c1-20-15(22)9-12(16(23)24)17(20)4-6-21(7-5-17)10-11-2-3-13(18)14(19)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,23,24).
What are the key properties of 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 371.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dichlorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72929508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).