2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid

C13H25NO2 — CID 103256663

IUPAC2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
SMILESCCCCC(NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-5-7-10(12(15)16)14-11-8-6-9-13(11,2)3/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyIGEOTMXKAAUORY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds6

About 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid

2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid (PubChem CID 103256663) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
PubChem CID103256663
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
SMILESCCCCC(NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-5-7-10(12(15)16)14-11-8-6-9-13(11,2)3/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyIGEOTMXKAAUORY-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid (CID 103256663) is 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid is CCCCC(NC1CCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid?
The InChIKey is IGEOTMXKAAUORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-7-10(12(15)16)14-11-8-6-9-13(11,2)3/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid?
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid is sourced from PubChem (CID 103256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).