ethyl 3-amino-3-methylbutanoate;hydrochloride

C7H16ClNO2 — CID 15578558

IUPACethyl 3-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)CC(C)(C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-6(9)5-7(2,3)8;/h4-5,8H2,1-3H3;1H
InChIKeyHFBJSIGXRKAYAF-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds3

About ethyl 3-amino-3-methylbutanoate;hydrochloride

ethyl 3-amino-3-methylbutanoate;hydrochloride (PubChem CID 15578558) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 3-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-3-methylbutanoate;hydrochloride
PubChem CID15578558
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 3-amino-3-methylbutanoate;hydrochloride
SMILESCCOC(=O)CC(C)(C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-6(9)5-7(2,3)8;/h4-5,8H2,1-3H3;1H
InChIKeyHFBJSIGXRKAYAF-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-3-methylbutanoate;hydrochloride (CID 15578558) is ethyl 3-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-3-methylbutanoate;hydrochloride is CCOC(=O)CC(C)(C)N.Cl.
What is the InChIKey of ethyl 3-amino-3-methylbutanoate;hydrochloride?
The InChIKey is HFBJSIGXRKAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-10-6(9)5-7(2,3)8;/h4-5,8H2,1-3H3;1H.
What are the key properties of ethyl 3-amino-3-methylbutanoate;hydrochloride?
ethyl 3-amino-3-methylbutanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 15578558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).