2-amino-4-methylsulfanylbutanoic acid;ethoxyethane

C9H21NO3S — CID 141375461

IUPAC2-amino-4-methylsulfanylbutanoic acid;ethoxyethane
SMILESCCOCC.CSCCC(N)C(=O)O
InChIInChI=1S/C5H11NO2S.C4H10O/c1-9-3-2-4(6)5(7)8;1-3-5-4-2/h4H,2-3,6H2,1H3,(H,7,8);3-4H2,1-2H3
InChIKeyDCSUJRHEAAAXNS-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane

2-amino-4-methylsulfanylbutanoic acid;ethoxyethane (PubChem CID 141375461) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;ethoxyethane
PubChem CID141375461
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;ethoxyethane
SMILESCCOCC.CSCCC(N)C(=O)O
InChIInChI=1S/C5H11NO2S.C4H10O/c1-9-3-2-4(6)5(7)8;1-3-5-4-2/h4H,2-3,6H2,1H3,(H,7,8);3-4H2,1-2H3
InChIKeyDCSUJRHEAAAXNS-UHFFFAOYSA-N
XLogP1.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane (CID 141375461) is 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane is CCOCC.CSCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane?
The InChIKey is DCSUJRHEAAAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C4H10O/c1-9-3-2-4(6)5(7)8;1-3-5-4-2/h4H,2-3,6H2,1H3,(H,7,8);3-4H2,1-2H3.
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane?
2-amino-4-methylsulfanylbutanoic acid;ethoxyethane has a molecular weight of 223.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;ethoxyethane is sourced from PubChem (CID 141375461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).