tert-butyl 2-aminoacetate;hydrochloride

C6H14ClNO2 — CID 2725036

IUPACtert-butyl 2-aminoacetate;hydrochloride
SMILESCC(C)(C)OC(=O)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
InChIKeyOSWULUXZFOQIRU-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds1

About tert-butyl 2-aminoacetate;hydrochloride

tert-butyl 2-aminoacetate;hydrochloride (PubChem CID 2725036) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-aminoacetate;hydrochloride
PubChem CID2725036
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nametert-butyl 2-aminoacetate;hydrochloride
SMILESCC(C)(C)OC(=O)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
InChIKeyOSWULUXZFOQIRU-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;hydrochloride?
The IUPAC name of tert-butyl 2-aminoacetate;hydrochloride (CID 2725036) is tert-butyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-aminoacetate;hydrochloride?
The canonical SMILES for tert-butyl 2-aminoacetate;hydrochloride is CC(C)(C)OC(=O)CN.Cl.
What is the InChIKey of tert-butyl 2-aminoacetate;hydrochloride?
The InChIKey is OSWULUXZFOQIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H.
What are the key properties of tert-butyl 2-aminoacetate;hydrochloride?
tert-butyl 2-aminoacetate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 2725036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).