2-(azocan-1-yl)butanoic acid

C11H21NO2 — CID 43808973

IUPAC2-(azocan-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-10(11(13)14)12-8-6-4-3-5-7-9-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyTWHWMCUHJRXGOC-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds3

About 2-(azocan-1-yl)butanoic acid

2-(azocan-1-yl)butanoic acid (PubChem CID 43808973) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(azocan-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(azocan-1-yl)butanoic acid
PubChem CID43808973
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(azocan-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-10(11(13)14)12-8-6-4-3-5-7-9-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyTWHWMCUHJRXGOC-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)pentanoic acid
CID 43866463
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-piperidin-1-ylheptanoic acid
CID 43803843
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
CID 129495739
3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)butanoic acid?
The IUPAC name of 2-(azocan-1-yl)butanoic acid (CID 43808973) is 2-(azocan-1-yl)butanoic acid.
What is the SMILES notation for 2-(azocan-1-yl)butanoic acid?
The canonical SMILES for 2-(azocan-1-yl)butanoic acid is CCC(C(=O)O)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)butanoic acid?
The InChIKey is TWHWMCUHJRXGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-10(11(13)14)12-8-6-4-3-5-7-9-12/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(azocan-1-yl)butanoic acid?
2-(azocan-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)butanoic acid is sourced from PubChem (CID 43808973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).