tert-butyl (2S)-2-aminopropanoate;hydrochloride

C7H16ClNO2 — CID 11275390

IUPACtert-butyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1
InChIKeyWIQIWPPQGWGVHD-JEDNCBNOSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds1

About tert-butyl (2S)-2-aminopropanoate;hydrochloride

tert-butyl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 11275390) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is tert-butyl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-aminopropanoate;hydrochloride
PubChem CID11275390
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nametert-butyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1
InChIKeyWIQIWPPQGWGVHD-JEDNCBNOSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-aminopropanoate;hydrochloride (CID 11275390) is tert-butyl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-aminopropanoate;hydrochloride is C[C@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is WIQIWPPQGWGVHD-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-aminopropanoate;hydrochloride?
tert-butyl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 11275390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).