tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride

C10H22ClNO2 — CID 131886716

IUPACtert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
SMILESCN[C@H](C(=O)OC(C)(C)C)C(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-7(2)8(11-6)9(12)13-10(3,4)5;/h7-8,11H,1-6H3;1H/t8-;/m0./s1
InChIKeyIXKXYWRYRCOPIJ-QRPNPIFTSA-N
MW223.74 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride

tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride (PubChem CID 131886716) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
PubChem CID131886716
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
SMILESCN[C@H](C(=O)OC(C)(C)C)C(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-7(2)8(11-6)9(12)13-10(3,4)5;/h7-8,11H,1-6H3;1H/t8-;/m0./s1
InChIKeyIXKXYWRYRCOPIJ-QRPNPIFTSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
tert-butyl (3S)-2-hydroxy-4-methyl-3-(methylamino)pentanoate
CID 87855920
bis[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]phosphinic acid
CID 134535350
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]but-2-enoic acid
CID 173252164
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
tert-butyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 58786092
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride (CID 131886716) is tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride is CN[C@H](C(=O)OC(C)(C)C)C(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride?
The InChIKey is IXKXYWRYRCOPIJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-7(2)8(11-6)9(12)13-10(3,4)5;/h7-8,11H,1-6H3;1H/t8-;/m0./s1.
What are the key properties of tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride?
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 131886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).