propyl 2-amino-2-methylpropanoate;hydrochloride

C7H16ClNO2 — CID 134284248

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

About propyl 2-amino-2-methylpropanoate;hydrochloride

propyl 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 134284248) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is propyl 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namepropyl 2-amino-2-methylpropanoate;hydrochloride
PubChem CID134284248
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namepropyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCCCOC(=O)C(C)(C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-5-10-6(9)7(2,3)8;/h4-5,8H2,1-3H3;1H
InChIKeyOVGJJQXUCFHFTK-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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Related Compounds

propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
3,3-dimethylbutyl 2-amino-2-methylpropanoate
CID 66227109
ethyl 2-amino-2-methylpropanoate
CID 153428588
propyl 2-methyl-2-(methylamino)butanoate
CID 88573516
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
azane;propyl 2,2-dipropylpentanoate
CID 87112478
propyl 2,2-difluorobutanoate
CID 88537819
propyl carbamate;dihydrochloride
CID 87576214
dipropyl 2-ethyl-2-methylbutanedioate
CID 57222519
propyl 2,2-dimethylhexadecanoate
CID 57107993
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
propyl 2,2-diethyl-3-oxobutanoate
CID 20810011

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of propyl 2-amino-2-methylpropanoate;hydrochloride (CID 134284248) is propyl 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for propyl 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for propyl 2-amino-2-methylpropanoate;hydrochloride is CCCOC(=O)C(C)(C)N.Cl.
What is the InChIKey of propyl 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is OVGJJQXUCFHFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-5-10-6(9)7(2,3)8;/h4-5,8H2,1-3H3;1H.
What are the key properties of propyl 2-amino-2-methylpropanoate;hydrochloride?
propyl 2-amino-2-methylpropanoate;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 propyl 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 134284248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).