(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid

C11H24N2O4S — CID 122574248

IUPAC(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid
SMILESCCC[C@H](N)C(=O)O.CCSCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2S.C5H11NO2/c1-2-10-4-3-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1
InChIKeyFXEXSNRWAKGIHO-VDQHJUMDSA-N
MW280.39 g/mol
LogP0.74
Rot. Bonds8

About (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid

(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid (PubChem CID 122574248) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid
PubChem CID122574248
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid
SMILESCCC[C@H](N)C(=O)O.CCSCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2S.C5H11NO2/c1-2-10-4-3-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1
InChIKeyFXEXSNRWAKGIHO-VDQHJUMDSA-N
XLogP0.74
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminoacetic acid);(2S)-2-amino-4-ethylsulfanylbutanoic acid
CID 87886710
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-amino-4-(3-amino-4-oxopentyl)sulfanylbutanoic acid
CID 159551936
2-amino-4-(ethoxymethylsulfanyl)butanoic acid
CID 65369194
(2R)-2-amino-4-(hydroxymethylsulfanyl)butanoic acid
CID 87253525
2-amino-4-[3-(3-amino-3-carboxypropyl)sulfanylpropylsulfanyl]butanoic acid
CID 110192936
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2-amino-4-ethylsulfanylbutanoic acid;1,2-dihydropyridine
CID 67804062
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
2-[[(3S)-3-amino-3-carboxypropyl]sulfanylmethyl]propanedioic acid
CID 87535505
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid?
The IUPAC name of (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid (CID 122574248) is (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid.
What is the SMILES notation for (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid?
The canonical SMILES for (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid is CCC[C@H](N)C(=O)O.CCSCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid?
The InChIKey is FXEXSNRWAKGIHO-VDQHJUMDSA-N. The full InChI is InChI=1S/C6H13NO2S.C5H11NO2/c1-2-10-4-3-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m00/s1.
What are the key properties of (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid?
(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid is sourced from PubChem (CID 122574248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).