ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride

C7H16ClNO2 — CID 18698433

IUPACethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-6(9)7(2,3)5-8;/h4-5,8H2,1-3H3;1H
InChIKeyHAWROYHPFXYIGS-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.96
Rot. Bonds3

About ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride

ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride (PubChem CID 18698433) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
PubChem CID18698433
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-6(9)7(2,3)5-8;/h4-5,8H2,1-3H3;1H
InChIKeyHAWROYHPFXYIGS-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride (CID 18698433) is ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride is CCOC(=O)C(C)(C)CN.Cl.
What is the InChIKey of ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The InChIKey is HAWROYHPFXYIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-10-6(9)7(2,3)5-8;/h4-5,8H2,1-3H3;1H.
What are the key properties of ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 18698433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).