methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride

C8H18ClNO2 — CID 53487384

IUPACmethyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9)5-7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
InChIKeyVWWAVWOVOOLSTC-FYZOBXCZSA-N
MW195.69 g/mol
LogP1.34
Rot. Bonds2

About methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride

methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride (PubChem CID 53487384) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride
PubChem CID53487384
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9)5-7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
InChIKeyVWWAVWOVOOLSTC-FYZOBXCZSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-aminopentanoate hydrochloride
CID 10149028
Ethyl 3-amino-4-methylpentanoate hydrochloride
CID 18321650
Methyl 2-amino-4,4-dimethylpentanoate
CID 23000049
methyl (3S)-3-aminopentanoate hydrochloride
CID 51358236
Methyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
CID 54595216
Methyl 3-amino-4-methylpentanoate hydrochloride
CID 71307026
Methyl 3-amino-2,2-dimethylbutanoate hydrochloride
CID 88924162
methyl (3R)-3-amino-2,2-dimethylbutanoate hydrochloride
CID 88924164
Ethyl 3-amino-2,2-dimethylbutanoate hydrochloride
CID 145874747
Ethyl 3-amino-4-methylpentanoate
CID 12859677
methyl (3S)-3-amino-4-methylpentanoate hydrochloride
CID 53487344
(3R)-3-amino-4,4-dimethylpentanoic acid hydrochloride
CID 132398873

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride (CID 53487384) is methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride is COC(=O)C[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride?
The InChIKey is VWWAVWOVOOLSTC-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9)5-7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride?
methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride is sourced from PubChem (CID 53487384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).