tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride

C9H20ClNO2 — CID 45108216

IUPACtert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1
InChIKeyAUIVQIHTTVPKFS-OGFXRTJISA-N
MW209.72 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride

tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride (PubChem CID 45108216) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride
PubChem CID45108216
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Nametert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1
InChIKeyAUIVQIHTTVPKFS-OGFXRTJISA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl valinate hydrochloride
CID 111190
Valine, methyl ester, hydrochloride (1:1)
CID 12498813
(2S)-2-amino butanic acid t-butyl ester
CID 7019938
l-Valine, ethyl ester
CID 87182
Ethyl L-valinate hydrochloride
CID 87181
L-(+)-Ttert-butyl tert-leuc-inate
CID 11252445
tert-Butyl alaninate hydrochloride
CID 11275390
Methyl D-valinate hydrochloride
CID 11984198
tert-butyl (2S)-2-amino-3-methylbutanoate hydrochloride
CID 12490702
Ethyl D-valinate hydrochloride
CID 42609611
tert-Butyl L-valinate
CID 114626
tert-butyl (2S)-2-amino-4-methylpentanoate
CID 7022311

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride (CID 45108216) is tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride is CC(C)[C@@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
The InChIKey is AUIVQIHTTVPKFS-OGFXRTJISA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m1./s1.
What are the key properties of tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride?
tert-butyl (2R)-2-amino-3-methylbutanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.73, 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-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 45108216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).