(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride

C8H18ClNO2 — CID 167736504

IUPAC(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride
SMILESCN[C@@H](CC(=O)O)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9-3)5-8(10)11;/h6-7,9H,4-5H2,1-3H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyFQUDUTNJFGEMPC-OGFXRTJISA-N
MW195.69 g/mol
LogP1.52
Rot. Bonds5

About (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride

(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride (PubChem CID 167736504) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride
PubChem CID167736504
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride
SMILESCN[C@@H](CC(=O)O)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9-3)5-8(10)11;/h6-7,9H,4-5H2,1-3H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyFQUDUTNJFGEMPC-OGFXRTJISA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride?
The IUPAC name of (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride (CID 167736504) is (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride.
What is the SMILES notation for (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride?
The canonical SMILES for (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride is CN[C@@H](CC(=O)O)CC(C)C.Cl.
What is the InChIKey of (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride?
The InChIKey is FQUDUTNJFGEMPC-OGFXRTJISA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9-3)5-8(10)11;/h6-7,9H,4-5H2,1-3H3,(H,10,11);1H/t7-;/m1./s1.
What are the key properties of (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride?
(3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-(methylamino)hexanoic acid;hydrochloride is sourced from PubChem (CID 167736504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).