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

C19H24N2O3 — CID 72934705

IUPAC1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C19H24N2O3/c1-20-17(22)14-16(18(23)24)19(20)9-12-21(13-10-19)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,23,24)/b8-5+
InChIKeyQCZUNIPOZJHKMN-VMPITWQZSA-N
MW328.41 g/mol
LogP2.10
Rot. Bonds4

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

1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72934705) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72934705
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C19H24N2O3/c1-20-17(22)14-16(18(23)24)19(20)9-12-21(13-10-19)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,23,24)/b8-5+
InChIKeyQCZUNIPOZJHKMN-VMPITWQZSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[(4-Cinnamyl-1-piperazinyl)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 5763789
(3S*,4R*)-4-phenyl-1-(3-piperidin-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 70743121
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-{[2-(4-Fluorophenyl)ethyl]amino}-2-oxoethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72863053
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-Fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72885920
(3S,4S)-1-(1-methyl-4-phenylpiperidine-4-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72892796
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-({[2-(2-Fluorophenyl)ethyl]amino}carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72917556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72934705) is 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is QCZUNIPOZJHKMN-VMPITWQZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-17(22)14-16(18(23)24)19(20)9-12-21(13-10-19)11-5-8-15-6-3-2-4-7-15/h2-8,16H,9-14H2,1H3,(H,23,24)/b8-5+.
What are the key properties of 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-[(E)-3-phenylprop-2-enyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72934705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).