1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid

C15H29NO2 — CID 154981972

IUPAC1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
SMILESCCCCCC(C)(CCCC)N1CC(C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-4-6-8-10-15(3,9-7-5-2)16-11-13(12-16)14(17)18/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyDIUDAYVDBPIHOK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds9

About 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid

1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid (PubChem CID 154981972) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
PubChem CID154981972
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
SMILESCCCCCC(C)(CCCC)N1CC(C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-4-6-8-10-15(3,9-7-5-2)16-11-13(12-16)14(17)18/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyDIUDAYVDBPIHOK-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
3-methyl-3-piperidin-1-yldecanoic acid
CID 64527597
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-(aziridin-1-yl)-2-butylheptanoic acid
CID 175159264
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid (CID 154981972) is 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid is CCCCCC(C)(CCCC)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid?
The InChIKey is DIUDAYVDBPIHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-8-10-15(3,9-7-5-2)16-11-13(12-16)14(17)18/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid?
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 154981972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).