2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride

C10H20ClNO2 — CID 71757665

IUPAC2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride
SMILESCN(C1CCCC1)C(C)(C)C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)11(3)8-6-4-5-7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyNYBHQGSVQLIYEH-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.15
Rot. Bonds3

About 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride

2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride (PubChem CID 71757665) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride
PubChem CID71757665
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride
SMILESCN(C1CCCC1)C(C)(C)C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)11(3)8-6-4-5-7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyNYBHQGSVQLIYEH-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.15
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]-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride (CID 71757665) is 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride is CN(C1CCCC1)C(C)(C)C(=O)O.Cl.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride?
The InChIKey is NYBHQGSVQLIYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)11(3)8-6-4-5-7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride?
2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 71757665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).