2-(3-propylazetidin-1-yl)pentanoic acid

C11H21NO2 — CID 79695238

IUPAC2-(3-propylazetidin-1-yl)pentanoic acid
SMILESCCCC1CN(C(CCC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-5-9-7-12(8-9)10(6-4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyWYJBYPDLOISKBO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 2-(3-propylazetidin-1-yl)pentanoic acid

2-(3-propylazetidin-1-yl)pentanoic acid (PubChem CID 79695238) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3-propylazetidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-propylazetidin-1-yl)pentanoic acid
PubChem CID79695238
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3-propylazetidin-1-yl)pentanoic acid
SMILESCCCC1CN(C(CCC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-5-9-7-12(8-9)10(6-4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyWYJBYPDLOISKBO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylazetidin-1-yl)pentanoic acid
CID 79695452
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
CID 83043746
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
3-(1H-indol-3-yl)-2-(3-propylazetidin-1-yl)propanoic acid
CID 79690011
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
CID 83047700
2-methyl-3-oxo-3-(3-propylpyrrolidin-1-yl)propanoic acid
CID 114898961
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylazetidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3-propylazetidin-1-yl)pentanoic acid (CID 79695238) is 2-(3-propylazetidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3-propylazetidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3-propylazetidin-1-yl)pentanoic acid is CCCC1CN(C(CCC)C(=O)O)C1.
What is the InChIKey of 2-(3-propylazetidin-1-yl)pentanoic acid?
The InChIKey is WYJBYPDLOISKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-9-7-12(8-9)10(6-4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-propylazetidin-1-yl)pentanoic acid?
2-(3-propylazetidin-1-yl)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylazetidin-1-yl)pentanoic acid is sourced from PubChem (CID 79695238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).