methyl 2-amino-2-cyclobutylpropanoate;hydrochloride

C8H16ClNO2 — CID 154577542

IUPACmethyl 2-amino-2-cyclobutylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(N)C1CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(9,7(10)11-2)6-4-3-5-6;/h6H,3-5,9H2,1-2H3;1H
InChIKeyIPQYIHRZYOOJAH-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-amino-2-cyclobutylpropanoate;hydrochloride

methyl 2-amino-2-cyclobutylpropanoate;hydrochloride (PubChem CID 154577542) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 2-amino-2-cyclobutylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclobutylpropanoate;hydrochloride
PubChem CID154577542
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-amino-2-cyclobutylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(N)C1CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(9,7(10)11-2)6-4-3-5-6;/h6H,3-5,9H2,1-2H3;1H
InChIKeyIPQYIHRZYOOJAH-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclobutylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-cyclobutylpropanoate;hydrochloride (CID 154577542) is methyl 2-amino-2-cyclobutylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-cyclobutylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-cyclobutylpropanoate;hydrochloride is COC(=O)C(C)(N)C1CCC1.Cl.
What is the InChIKey of methyl 2-amino-2-cyclobutylpropanoate;hydrochloride?
The InChIKey is IPQYIHRZYOOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(9,7(10)11-2)6-4-3-5-6;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-cyclobutylpropanoate;hydrochloride?
methyl 2-amino-2-cyclobutylpropanoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclobutylpropanoate;hydrochloride is sourced from PubChem (CID 154577542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).