6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid

C14H27NO2 — CID 79695309

IUPAC6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
SMILESCCC1(CC)CN(CCC(C)CCC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-14(5-2)10-15(11-14)9-8-12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBNMJMPNPQROGPF-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds8

About 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid

6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid (PubChem CID 79695309) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid.

Molecular Properties

Compound Name6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
PubChem CID79695309
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
SMILESCCC1(CC)CN(CCC(C)CCC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-14(5-2)10-15(11-14)9-8-12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBNMJMPNPQROGPF-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic 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

4-[2-(3,3-diethylazetidin-1-yl)ethyl]-5-methylhexanoic acid
CID 79694273
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
CID 79695733
4,8-dimethylundecanoic acid
CID 25230729
4,8-dimethyldodecanoic acid
CID 5282617
ethane;4-methyloctanoic acid
CID 171811977
7-amino-4-methylheptanoic acid
CID 57310581
4-methyltetradecanoic acid
CID 23454322
4-(3,3-dipropylazetidin-1-yl)pentanoic acid
CID 79695411
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
(2R,4S)-2,4-dimethylheptanedioic acid
CID 177439281
6-(5-carboxy-3-methylpentoxy)-4-methylhexanoic acid
CID 87319600

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid?
The IUPAC name of 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid (CID 79695309) is 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid.
What is the SMILES notation for 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid?
The canonical SMILES for 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid is CCC1(CC)CN(CCC(C)CCC(=O)O)C1.
What is the InChIKey of 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid?
The InChIKey is BNMJMPNPQROGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-14(5-2)10-15(11-14)9-8-12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid?
6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid is sourced from PubChem (CID 79695309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).