(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride

C11H25ClN2O2S — CID 119288799

IUPAC(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCOCCCCNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-15-8-5-4-7-13-11(14)10(12)6-9-16-2;/h10H,3-9,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeySWXOJXNGCAWPFB-PPHPATTJSA-N
MW284.85 g/mol
LogP1.42
Rot. Bonds10

About (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119288799) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119288799
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCOCCCCNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-15-8-5-4-7-13-11(14)10(12)6-9-16-2;/h10H,3-9,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeySWXOJXNGCAWPFB-PPHPATTJSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
2-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]acetic acid
CID 104908717
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-methylsulfanylbutanamide
CID 106236591
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104909037
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119288799) is (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride is CCOCCCCNC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is SWXOJXNGCAWPFB-PPHPATTJSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-3-15-8-5-4-7-13-11(14)10(12)6-9-16-2;/h10H,3-9,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119288799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).