tert-butyl (2R)-2-aminobutanoate;hydrochloride

C8H18ClNO2 — CID 74889732

IUPACtert-butyl (2R)-2-aminobutanoate;hydrochloride
SMILESCC[C@@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-6(9)7(10)11-8(2,3)4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
InChIKeyOEPKETQBSXWOBJ-FYZOBXCZSA-N
MW195.69 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl (2R)-2-aminobutanoate;hydrochloride

tert-butyl (2R)-2-aminobutanoate;hydrochloride (PubChem CID 74889732) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is tert-butyl (2R)-2-aminobutanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-2-aminobutanoate;hydrochloride
PubChem CID74889732
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nametert-butyl (2R)-2-aminobutanoate;hydrochloride
SMILESCC[C@@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-6(9)7(10)11-8(2,3)4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
InChIKeyOEPKETQBSXWOBJ-FYZOBXCZSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

Ethyl L-valinate hydrochloride
CID 87181
(2S)-2-amino butanic acid t-butyl ester
CID 7019938
tert-butyl (2R)-2-aminopropanoate
CID 7359212
L-(+)-Ttert-butyl tert-leuc-inate
CID 11252445
tert-Butyl alaninate hydrochloride
CID 11275390
tert-butyl (2S)-2-amino-3-methylbutanoate hydrochloride
CID 12490702
L-Aspartic acid, bis(1,1-dimethylethyl) ester, hydrochloride
CID 13768146
Ethyl D-valinate hydrochloride
CID 42609611
tert-Butyl L-valinate
CID 114626
L-Alanine 1,1-dimethylethyl ester
CID 89016
tert-Butyl isoleucinate--hydrogen chloride (1/1)
CID 11687228
tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate
CID 7018832

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-aminobutanoate;hydrochloride?
The IUPAC name of tert-butyl (2R)-2-aminobutanoate;hydrochloride (CID 74889732) is tert-butyl (2R)-2-aminobutanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-2-aminobutanoate;hydrochloride?
The canonical SMILES for tert-butyl (2R)-2-aminobutanoate;hydrochloride is CC[C@@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2R)-2-aminobutanoate;hydrochloride?
The InChIKey is OEPKETQBSXWOBJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-5-6(9)7(10)11-8(2,3)4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1.
What are the key properties of tert-butyl (2R)-2-aminobutanoate;hydrochloride?
tert-butyl (2R)-2-aminobutanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-aminobutanoate;hydrochloride is sourced from PubChem (CID 74889732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).