methyl (2S)-2-(methylamino)butanoate;hydrochloride

C6H14ClNO2 — CID 123133712

IUPACmethyl (2S)-2-(methylamino)butanoate;hydrochloride
SMILESCC[C@H](NC)C(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-5(7-2)6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m0./s1
InChIKeyASOJIUMAOMSETO-JEDNCBNOSA-N
MW167.64 g/mol
LogP0.58
Rot. Bonds3

About methyl (2S)-2-(methylamino)butanoate;hydrochloride

methyl (2S)-2-(methylamino)butanoate;hydrochloride (PubChem CID 123133712) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is methyl (2S)-2-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(methylamino)butanoate;hydrochloride
PubChem CID123133712
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namemethyl (2S)-2-(methylamino)butanoate;hydrochloride
SMILESCC[C@H](NC)C(=O)OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-5(7-2)6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m0./s1
InChIKeyASOJIUMAOMSETO-JEDNCBNOSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(methylamino)butanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-(methylamino)butanoate;hydrochloride (CID 123133712) is methyl (2S)-2-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(methylamino)butanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(methylamino)butanoate;hydrochloride is CC[C@H](NC)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-2-(methylamino)butanoate;hydrochloride?
The InChIKey is ASOJIUMAOMSETO-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-5(7-2)6(8)9-3;/h5,7H,4H2,1-3H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-2-(methylamino)butanoate;hydrochloride?
methyl (2S)-2-(methylamino)butanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 123133712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).