2-(azepan-1-yl)pentanoic acid

C11H21NO2 — CID 43866463

IUPAC2-(azepan-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-7-10(11(13)14)12-8-5-3-4-6-9-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJQALIYSLILRQFD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds4

About 2-(azepan-1-yl)pentanoic acid

2-(azepan-1-yl)pentanoic acid (PubChem CID 43866463) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(azepan-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(azepan-1-yl)pentanoic acid
PubChem CID43866463
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(azepan-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-7-10(11(13)14)12-8-5-3-4-6-9-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJQALIYSLILRQFD-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-piperidin-1-ylheptanoic acid
CID 43803843
2-(azocan-1-yl)butanoic acid
CID 43808973
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951
2-(azocan-1-yl)pentanehydrazide
CID 83047792
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
CID 103090125
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
CID 83043141
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)pentanoic acid?
The IUPAC name of 2-(azepan-1-yl)pentanoic acid (CID 43866463) is 2-(azepan-1-yl)pentanoic acid.
What is the SMILES notation for 2-(azepan-1-yl)pentanoic acid?
The canonical SMILES for 2-(azepan-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)pentanoic acid?
The InChIKey is JQALIYSLILRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-10(11(13)14)12-8-5-3-4-6-9-12/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(azepan-1-yl)pentanoic acid?
2-(azepan-1-yl)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)pentanoic acid is sourced from PubChem (CID 43866463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).