2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

C11H25ClN2O2S — CID 175942177

IUPAC2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-4-13(5-2)7-8-15-11(14)10(12)6-9-16-3;/h10H,4-9,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeySVAIQHJPDMBISF-PPHPATTJSA-N
MW284.85 g/mol
LogP1.37
Rot. Bonds9

About 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (PubChem CID 175942177) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
PubChem CID175942177
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-4-13(5-2)7-8-15-11(14)10(12)6-9-16-3;/h10H,4-9,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeySVAIQHJPDMBISF-PPHPATTJSA-N
XLogP1.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139951109
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
2-(diethylamino)ethyl 2,6-diaminohexanoate
CID 175459866
tetradecyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139632808
2-(diethylamino)ethyl (2S)-2,6-diaminohexanoate
CID 175942176
(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
CID 61148645
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
4-methylpentyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61302105
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 141292126
2-(diethylamino)ethyl 2-propylsulfanylpentanoate
CID 3052725
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909740

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride (CID 175942177) is 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is CCN(CC)CCOC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
The InChIKey is SVAIQHJPDMBISF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-4-13(5-2)7-8-15-11(14)10(12)6-9-16-3;/h10H,4-9,12H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride?
2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride is sourced from PubChem (CID 175942177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).