5-(3,3-diethylazetidin-1-yl)pentanoic acid

C12H23NO2 — CID 79694469

IUPAC5-(3,3-diethylazetidin-1-yl)pentanoic acid
SMILESCCC1(CC)CN(CCCCC(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2)9-13(10-12)8-6-5-7-11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyFTTOFWJUYVXNFJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds7

About 5-(3,3-diethylazetidin-1-yl)pentanoic acid

5-(3,3-diethylazetidin-1-yl)pentanoic acid (PubChem CID 79694469) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(3,3-diethylazetidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,3-diethylazetidin-1-yl)pentanoic acid
PubChem CID79694469
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-(3,3-diethylazetidin-1-yl)pentanoic acid
SMILESCCC1(CC)CN(CCCCC(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2)9-13(10-12)8-6-5-7-11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyFTTOFWJUYVXNFJ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
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

6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
CID 79695309
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(5-azaspiro[2.3]hexan-5-yl)pentanoic acid
CID 79695089
4-[2-(3,3-diethylazetidin-1-yl)ethyl]-5-methylhexanoic acid
CID 79694273
6-(aziridin-1-yl)hexanoic acid
CID 141385441
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
decanedioic acid;ethylphosphane
CID 88661253
4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
CID 97131483
6-(3-propylazetidin-1-yl)hexanoic acid
CID 79686619
2-(3-ethyl-3-propylazetidin-1-yl)acetic acid
CID 166719252
5-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 57107781

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethylazetidin-1-yl)pentanoic acid?
The IUPAC name of 5-(3,3-diethylazetidin-1-yl)pentanoic acid (CID 79694469) is 5-(3,3-diethylazetidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3,3-diethylazetidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(3,3-diethylazetidin-1-yl)pentanoic acid is CCC1(CC)CN(CCCCC(=O)O)C1.
What is the InChIKey of 5-(3,3-diethylazetidin-1-yl)pentanoic acid?
The InChIKey is FTTOFWJUYVXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(4-2)9-13(10-12)8-6-5-7-11(14)15/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 5-(3,3-diethylazetidin-1-yl)pentanoic acid?
5-(3,3-diethylazetidin-1-yl)pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethylazetidin-1-yl)pentanoic acid is sourced from PubChem (CID 79694469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).