ethyl (2R)-2-aminobutanoate;hydrochloride

C6H14ClNO2 — CID 53487523

IUPACethyl (2R)-2-aminobutanoate;hydrochloride
SMILESCCOC(=O)[C@H](N)CC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-5(7)6(8)9-4-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1
InChIKeySWNBPYRQCHSZSE-NUBCRITNSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds3

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

ethyl (2R)-2-aminobutanoate;hydrochloride (PubChem CID 53487523) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl (2R)-2-aminobutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-aminobutanoate;hydrochloride
PubChem CID53487523
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl (2R)-2-aminobutanoate;hydrochloride
SMILESCCOC(=O)[C@H](N)CC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-5(7)6(8)9-4-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1
InChIKeySWNBPYRQCHSZSE-NUBCRITNSA-N
XLogP0.71
TPSA52.32 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-azaniumylbutanoate
CID 6971252
(R)-2-Aminobutanoate
CID 6971251
2-Aminobutyrate
CID 517460
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Valine methyl ester
CID 94285
l-Valine, ethyl ester
CID 87182
Ethyl L-valinate hydrochloride
CID 87181
Ethyl 3-aminobutyrate
CID 98103
Methyl valinate hydrochloride
CID 111190
Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298
Valine, methyl ester, hydrochloride (1:1)
CID 12498813

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-aminobutanoate;hydrochloride?
The IUPAC name of ethyl (2R)-2-aminobutanoate;hydrochloride (CID 53487523) is ethyl (2R)-2-aminobutanoate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-aminobutanoate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-aminobutanoate;hydrochloride is CCOC(=O)[C@H](N)CC.Cl.
What is the InChIKey of ethyl (2R)-2-aminobutanoate;hydrochloride?
The InChIKey is SWNBPYRQCHSZSE-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-5(7)6(8)9-4-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of ethyl (2R)-2-aminobutanoate;hydrochloride?
ethyl (2R)-2-aminobutanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-aminobutanoate;hydrochloride is sourced from PubChem (CID 53487523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).