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

C7H17Cl2NO2 — CID 142726161

IUPACtert-butyl (2S)-2-aminopropanoate;dihydrochloride
SMILESC[C@H](N)C(=O)OC(C)(C)C.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-5(8)6(9)10-7(2,3)4;;/h5H,8H2,1-4H3;2*1H/t5-;;/m0../s1
InChIKeyCLANDFMWJHCXGA-XRIGFGBMSA-N
MW218.12 g/mol
LogP1.52
Rot. Bonds1

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

tert-butyl (2S)-2-aminopropanoate;dihydrochloride (PubChem CID 142726161) has the molecular formula C7H17Cl2NO2 and a molecular weight of 218.12 g/mol. Its IUPAC name is tert-butyl (2S)-2-aminopropanoate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-aminopropanoate;dihydrochloride
PubChem CID142726161
Molecular FormulaC7H17Cl2NO2
Molecular Weight218.12 g/mol
Exact Mass217.06
IUPAC Nametert-butyl (2S)-2-aminopropanoate;dihydrochloride
SMILESC[C@H](N)C(=O)OC(C)(C)C.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-5(8)6(9)10-7(2,3)4;;/h5H,8H2,1-4H3;2*1H/t5-;;/m0../s1
InChIKeyCLANDFMWJHCXGA-XRIGFGBMSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-aminopropanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-fluoropropanoate
CID 91554233
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
tert-butyl (2S)-3-amino-2-methoxybutanoate
CID 141193665
tert-butyl (2S)-2-aminopropanoate;tert-butyl (2R,5S)-2,5,6-trimethyl-4-oxoheptanoate;(2S)-2,3-dimethylbutanoic acid
CID 158867673

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-aminopropanoate;dihydrochloride?
The IUPAC name of tert-butyl (2S)-2-aminopropanoate;dihydrochloride (CID 142726161) is tert-butyl (2S)-2-aminopropanoate;dihydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-aminopropanoate;dihydrochloride?
The canonical SMILES for tert-butyl (2S)-2-aminopropanoate;dihydrochloride is C[C@H](N)C(=O)OC(C)(C)C.Cl.Cl.
What is the InChIKey of tert-butyl (2S)-2-aminopropanoate;dihydrochloride?
The InChIKey is CLANDFMWJHCXGA-XRIGFGBMSA-N. The full InChI is InChI=1S/C7H15NO2.2ClH/c1-5(8)6(9)10-7(2,3)4;;/h5H,8H2,1-4H3;2*1H/t5-;;/m0../s1.
What are the key properties of tert-butyl (2S)-2-aminopropanoate;dihydrochloride?
tert-butyl (2S)-2-aminopropanoate;dihydrochloride has a molecular weight of 218.12 g/mol, XLogP of 1.52, 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;dihydrochloride is sourced from PubChem (CID 142726161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).