methyl 2-aminobutanoate;hydrochloride

C5H12ClNO2 — CID 13283515

IUPACmethyl 2-aminobutanoate;hydrochloride
SMILESCCC(N)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H
InChIKeyAHAQQEGUPULIOZ-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds2

About methyl 2-aminobutanoate;hydrochloride

methyl 2-aminobutanoate;hydrochloride (PubChem CID 13283515) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl 2-aminobutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminobutanoate;hydrochloride
PubChem CID13283515
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl 2-aminobutanoate;hydrochloride
SMILESCCC(N)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H
InChIKeyAHAQQEGUPULIOZ-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminobutanoate;hydrochloride?
The IUPAC name of methyl 2-aminobutanoate;hydrochloride (CID 13283515) is methyl 2-aminobutanoate;hydrochloride.
What is the SMILES notation for methyl 2-aminobutanoate;hydrochloride?
The canonical SMILES for methyl 2-aminobutanoate;hydrochloride is CCC(N)C(=O)OC.Cl.
What is the InChIKey of methyl 2-aminobutanoate;hydrochloride?
The InChIKey is AHAQQEGUPULIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H.
What are the key properties of methyl 2-aminobutanoate;hydrochloride?
methyl 2-aminobutanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminobutanoate;hydrochloride is sourced from PubChem (CID 13283515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).