12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid

C20H33NO4 — CID 169291208

IUPAC12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid
SMILESC=C1CC(C)(C)C(=O)N(CCCCCCCCCCCC(=O)O)C1=O
InChIInChI=1S/C20H33NO4/c1-16-15-20(2,3)19(25)21(18(16)24)14-12-10-8-6-4-5-7-9-11-13-17(22)23/h1,4-15H2,2-3H3,(H,22,23)
InChIKeyIVAZHGQGNMUBCP-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.31
Rot. Bonds12

About 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid

12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid (PubChem CID 169291208) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid.

Molecular Properties

Compound Name12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid
PubChem CID169291208
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid
SMILESC=C1CC(C)(C)C(=O)N(CCCCCCCCCCCC(=O)O)C1=O
InChIInChI=1S/C20H33NO4/c1-16-15-20(2,3)19(25)21(18(16)24)14-12-10-8-6-4-5-7-9-11-13-17(22)23/h1,4-15H2,2-3H3,(H,22,23)
InChIKeyIVAZHGQGNMUBCP-UHFFFAOYSA-N
XLogP4.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione
CID 176590084
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 65301376
5-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 57107781
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)butanoic acid
CID 117030034
6-[3-(carboxymethyl)-3-hydroxy-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 171379695
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 65301201
5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid
CID 163404270
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
CID 43804742
6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 145323285
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496

Frequently Asked Questions

What is the IUPAC name of 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid?
The IUPAC name of 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid (CID 169291208) is 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid.
What is the SMILES notation for 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid?
The canonical SMILES for 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid is C=C1CC(C)(C)C(=O)N(CCCCCCCCCCCC(=O)O)C1=O.
What is the InChIKey of 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid?
The InChIKey is IVAZHGQGNMUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-16-15-20(2,3)19(25)21(18(16)24)14-12-10-8-6-4-5-7-9-11-13-17(22)23/h1,4-15H2,2-3H3,(H,22,23).
What are the key properties of 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid?
12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid has a molecular weight of 351.49 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid is sourced from PubChem (CID 169291208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).