methyl (2R)-2-aminobutanoate;hydrochloride

C5H12ClNO2 — CID 13283516

IUPACmethyl (2R)-2-aminobutanoate;hydrochloride
SMILESCC[C@@H](N)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
InChIKeyAHAQQEGUPULIOZ-PGMHMLKASA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds2

About methyl (2R)-2-aminobutanoate;hydrochloride

methyl (2R)-2-aminobutanoate;hydrochloride (PubChem CID 13283516) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl (2R)-2-aminobutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-aminobutanoate;hydrochloride
PubChem CID13283516
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl (2R)-2-aminobutanoate;hydrochloride
SMILESCC[C@@H](N)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
InChIKeyAHAQQEGUPULIOZ-PGMHMLKASA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-azaniumylbutanoate
CID 6971252
(2S)-2-ammonio-4-(methylselanyl)butanoate
CID 53262363
(R)-2-Aminobutanoate
CID 6971251
2-Aminobutyrate
CID 517460
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Seleno-l-methio-nine
CID 15820879
Valine methyl ester
CID 94285
l-Valine, ethyl ester
CID 87182
Ethyl L-valinate hydrochloride
CID 87181
Methyl valinate hydrochloride
CID 111190
Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-aminobutanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-aminobutanoate;hydrochloride (CID 13283516) is methyl (2R)-2-aminobutanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-aminobutanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-aminobutanoate;hydrochloride is CC[C@@H](N)C(=O)OC.Cl.
What is the InChIKey of methyl (2R)-2-aminobutanoate;hydrochloride?
The InChIKey is AHAQQEGUPULIOZ-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1.
What are the key properties of methyl (2R)-2-aminobutanoate;hydrochloride?
methyl (2R)-2-aminobutanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-aminobutanoate;hydrochloride is sourced from PubChem (CID 13283516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).