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

C13H25NO2 — CID 62271754

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-13(2,12(15)16)10-14(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLZHDPVXWIPUCAA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

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

2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid (PubChem CID 62271754) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid
PubChem CID62271754
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-9-13(2,12(15)16)10-14(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyLZHDPVXWIPUCAA-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid (CID 62271754) is 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid is CCCC(C)(CN(C)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid?
The InChIKey is LZHDPVXWIPUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-9-13(2,12(15)16)10-14(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid?
2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 62271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).