methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride

C5H12ClNO3 — CID 13221873

IUPACmethyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@@](C)(N)CO.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-5(6,3-7)4(8)9-2;/h7H,3,6H2,1-2H3;1H/t5-;/m0./s1
InChIKeyOBOVZRPIWXDGEL-JEDNCBNOSA-N
MW169.61 g/mol
LogP-0.71
Rot. Bonds2

About methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride

methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride (PubChem CID 13221873) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride
PubChem CID13221873
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Namemethyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@@](C)(N)CO.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-5(6,3-7)4(8)9-2;/h7H,3,6H2,1-2H3;1H/t5-;/m0./s1
InChIKeyOBOVZRPIWXDGEL-JEDNCBNOSA-N
XLogP-0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride (CID 13221873) is methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride is COC(=O)[C@@](C)(N)CO.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride?
The InChIKey is OBOVZRPIWXDGEL-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-5(6,3-7)4(8)9-2;/h7H,3,6H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride?
methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 13221873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).