4-(3,3-dipropylazetidin-1-yl)pentanoic acid

C14H27NO2 — CID 79695411

IUPAC4-(3,3-dipropylazetidin-1-yl)pentanoic acid
SMILESCCCC1(CCC)CN(C(C)CCC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-8-14(9-5-2)10-15(11-14)12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyCROAIBKVKXIROA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds8

About 4-(3,3-dipropylazetidin-1-yl)pentanoic acid

4-(3,3-dipropylazetidin-1-yl)pentanoic acid (PubChem CID 79695411) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-(3,3-dipropylazetidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(3,3-dipropylazetidin-1-yl)pentanoic acid
PubChem CID79695411
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-(3,3-dipropylazetidin-1-yl)pentanoic acid
SMILESCCCC1(CCC)CN(C(C)CCC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-8-14(9-5-2)10-15(11-14)12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyCROAIBKVKXIROA-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dipropylazetidin-1-yl)pentanoic acid?
The IUPAC name of 4-(3,3-dipropylazetidin-1-yl)pentanoic acid (CID 79695411) is 4-(3,3-dipropylazetidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-(3,3-dipropylazetidin-1-yl)pentanoic acid?
The canonical SMILES for 4-(3,3-dipropylazetidin-1-yl)pentanoic acid is CCCC1(CCC)CN(C(C)CCC(=O)O)C1.
What is the InChIKey of 4-(3,3-dipropylazetidin-1-yl)pentanoic acid?
The InChIKey is CROAIBKVKXIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-8-14(9-5-2)10-15(11-14)12(3)6-7-13(16)17/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-(3,3-dipropylazetidin-1-yl)pentanoic acid?
4-(3,3-dipropylazetidin-1-yl)pentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dipropylazetidin-1-yl)pentanoic acid is sourced from PubChem (CID 79695411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).