tert-butyl 4-aminobutanoate;hydrochloride

C8H18ClNO2 — CID 24750478

IUPACtert-butyl 4-aminobutanoate;hydrochloride
SMILESCC(C)(C)OC(=O)CCCN.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)11-7(10)5-4-6-9;/h4-6,9H2,1-3H3;1H
InChIKeyCZVNLCOJFFYZPG-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl 4-aminobutanoate;hydrochloride

tert-butyl 4-aminobutanoate;hydrochloride (PubChem CID 24750478) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is tert-butyl 4-aminobutanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-aminobutanoate;hydrochloride
PubChem CID24750478
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nametert-butyl 4-aminobutanoate;hydrochloride
SMILESCC(C)(C)OC(=O)CCCN.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)11-7(10)5-4-6-9;/h4-6,9H2,1-3H3;1H
InChIKeyCZVNLCOJFFYZPG-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminobutanoate;hydrochloride?
The IUPAC name of tert-butyl 4-aminobutanoate;hydrochloride (CID 24750478) is tert-butyl 4-aminobutanoate;hydrochloride.
What is the SMILES notation for tert-butyl 4-aminobutanoate;hydrochloride?
The canonical SMILES for tert-butyl 4-aminobutanoate;hydrochloride is CC(C)(C)OC(=O)CCCN.Cl.
What is the InChIKey of tert-butyl 4-aminobutanoate;hydrochloride?
The InChIKey is CZVNLCOJFFYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,3)11-7(10)5-4-6-9;/h4-6,9H2,1-3H3;1H.
What are the key properties of tert-butyl 4-aminobutanoate;hydrochloride?
tert-butyl 4-aminobutanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminobutanoate;hydrochloride is sourced from PubChem (CID 24750478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).