5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid

C13H23NO3 — CID 62964849

IUPAC5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C13H23NO3/c1-11(10-13(16)17)9-12(15)14-7-5-3-2-4-6-8-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyHRASICUYTGMCKH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds4

About 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid

5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 62964849) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
PubChem CID62964849
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C13H23NO3/c1-11(10-13(16)17)9-12(15)14-7-5-3-2-4-6-8-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyHRASICUYTGMCKH-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
3-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-5-oxopentanoic acid
CID 104933526
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 55157332
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015

Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid (CID 62964849) is 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCCCCCC1.
What is the InChIKey of 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is HRASICUYTGMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(10-13(16)17)9-12(15)14-7-5-3-2-4-6-8-14/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid?
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).