methyl 3-methyl-2-(methylamino)butanoate;hydrochloride

C7H16ClNO2 — CID 73187978

IUPACmethyl 3-methyl-2-(methylamino)butanoate;hydrochloride
SMILESCNC(C(=O)OC)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H
InChIKeyDLLHGHUMLSLOID-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.83
Rot. Bonds3

About methyl 3-methyl-2-(methylamino)butanoate;hydrochloride

methyl 3-methyl-2-(methylamino)butanoate;hydrochloride (PubChem CID 73187978) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 3-methyl-2-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-methyl-2-(methylamino)butanoate;hydrochloride
PubChem CID73187978
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 3-methyl-2-(methylamino)butanoate;hydrochloride
SMILESCNC(C(=O)OC)C(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H
InChIKeyDLLHGHUMLSLOID-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(methylamino)butanoate;hydrochloride?
The IUPAC name of methyl 3-methyl-2-(methylamino)butanoate;hydrochloride (CID 73187978) is methyl 3-methyl-2-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl 3-methyl-2-(methylamino)butanoate;hydrochloride?
The canonical SMILES for methyl 3-methyl-2-(methylamino)butanoate;hydrochloride is CNC(C(=O)OC)C(C)C.Cl.
What is the InChIKey of methyl 3-methyl-2-(methylamino)butanoate;hydrochloride?
The InChIKey is DLLHGHUMLSLOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H.
What are the key properties of methyl 3-methyl-2-(methylamino)butanoate;hydrochloride?
methyl 3-methyl-2-(methylamino)butanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 73187978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).