tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride

C10H22ClNO2 — CID 56776989

IUPACtert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-9(2,3)7(11)8(12)13-10(4,5)6;/h7H,11H2,1-6H3;1H/t7-;/m1./s1
InChIKeyOOJKHARXMDMOCG-OGFXRTJISA-N
MW223.74 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride

tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride (PubChem CID 56776989) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
PubChem CID56776989
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-9(2,3)7(11)8(12)13-10(4,5)6;/h7H,11H2,1-6H3;1H/t7-;/m1./s1
InChIKeyOOJKHARXMDMOCG-OGFXRTJISA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride 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 (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl 2-bromo-3,3-dimethylbutanoate
CID 22003546
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
tert-butyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;hydrochloride
CID 44717552
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
CID 88521805
trimethylsilyl 2-amino-3,3-dimethylbutanoate
CID 90102815
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl (2R)-2-aminobutanoate
CID 13283520

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride (CID 56776989) is tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride is CC(C)(C)OC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride?
The InChIKey is OOJKHARXMDMOCG-OGFXRTJISA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-9(2,3)7(11)8(12)13-10(4,5)6;/h7H,11H2,1-6H3;1H/t7-;/m1./s1.
What are the key properties of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride?
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.12, 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-amino-3,3-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 56776989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).