2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid

C14H27NO2 — CID 62271195

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CC)C1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-10-14(3,13(16)17)11-15(5-2)12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyGZTICXZMYBUOPN-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds7

About 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid

2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid (PubChem CID 62271195) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid
PubChem CID62271195
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CC)C1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-10-14(3,13(16)17)11-15(5-2)12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyGZTICXZMYBUOPN-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid (CID 62271195) is 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid is CCCC(C)(CN(CC)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The InChIKey is GZTICXZMYBUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-10-14(3,13(16)17)11-15(5-2)12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid?
2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 62271195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).