methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride

C8H18ClNO2 — CID 155858403

IUPACmethyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(CN)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(5-9)7(10)11-4;/h6H,5,9H2,1-4H3;1H
InChIKeyMAOUKDHSYUODDB-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.20
Rot. Bonds2

About methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride

methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride (PubChem CID 155858403) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride
PubChem CID155858403
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(CN)C(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6(5-9)7(10)11-4;/h6H,5,9H2,1-4H3;1H
InChIKeyMAOUKDHSYUODDB-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride?
The IUPAC name of methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride (CID 155858403) is methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride.
What is the SMILES notation for methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride?
The canonical SMILES for methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride is COC(=O)C(CN)C(C)(C)C.Cl.
What is the InChIKey of methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride?
The InChIKey is MAOUKDHSYUODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,3)6(5-9)7(10)11-4;/h6H,5,9H2,1-4H3;1H.
What are the key properties of methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride?
methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3,3-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 155858403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).