methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride

C7H16ClNO2 — CID 88924164

IUPACmethyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@@H](C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(8)7(2,3)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
InChIKeyLCBGYDMOOCUTEL-NUBCRITNSA-N
MW181.66 g/mol
LogP0.95
Rot. Bonds2

About methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride

methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride (PubChem CID 88924164) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride
PubChem CID88924164
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)[C@@H](C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(8)7(2,3)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
InChIKeyLCBGYDMOOCUTEL-NUBCRITNSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride (CID 88924164) is methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride is COC(=O)C(C)(C)[C@@H](C)N.Cl.
What is the InChIKey of methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride?
The InChIKey is LCBGYDMOOCUTEL-NUBCRITNSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(8)7(2,3)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride?
methyl (3R)-3-amino-2,2-dimethylbutanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.95, 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-2,2-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 88924164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).