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

C6H14ClNO2 — CID 43811190

IUPACmethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,4-7)5(8)9-3;/h4,7H2,1-3H3;1H
InChIKeyPHPVVUDRVIMHOI-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.57
Rot. Bonds2

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

methyl 3-amino-2,2-dimethylpropanoate;hydrochloride (PubChem CID 43811190) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is methyl 3-amino-2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
PubChem CID43811190
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namemethyl 3-amino-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,4-7)5(8)9-3;/h4,7H2,1-3H3;1H
InChIKeyPHPVVUDRVIMHOI-UHFFFAOYSA-N
XLogP0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-amino-2,2-dimethylpropanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2,2-dimethylpropanoate;hydrochloride (CID 43811190) is methyl 3-amino-2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2,2-dimethylpropanoate;hydrochloride is COC(=O)C(C)(C)CN.Cl.
What is the InChIKey of methyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
The InChIKey is PHPVVUDRVIMHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2,4-7)5(8)9-3;/h4,7H2,1-3H3;1H.
What are the key properties of methyl 3-amino-2,2-dimethylpropanoate;hydrochloride?
methyl 3-amino-2,2-dimethylpropanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 43811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).