2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid

C10H22N2O4S — CID 174693181

IUPAC2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid
SMILESCSCCC(N)C(=O)O.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2S.C5H11NO2/c1-9-3-2-4(6)5(7)8;6-4-2-1-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8);1-4,6H2,(H,7,8)
InChIKeyCECZSAPMPZHXQU-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.35
Rot. Bonds8

About 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid

2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid (PubChem CID 174693181) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid
PubChem CID174693181
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid
SMILESCSCCC(N)C(=O)O.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2S.C5H11NO2/c1-9-3-2-4(6)5(7)8;6-4-2-1-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8);1-4,6H2,(H,7,8)
InChIKeyCECZSAPMPZHXQU-UHFFFAOYSA-N
XLogP0.35
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.35
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

(2S)-2-amino-4-methylsulfanylbutanoic acid;octadecanoic acid
CID 88596572
(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
5-aminopentanoic acid;4-methylsulfanylbutanoic acid
CID 170707208
(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
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid (CID 174693181) is 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid is CSCCC(N)C(=O)O.NCCCCC(=O)O.
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid?
The InChIKey is CECZSAPMPZHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C5H11NO2/c1-9-3-2-4(6)5(7)8;6-4-2-1-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8);1-4,6H2,(H,7,8).
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid?
2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid is sourced from PubChem (CID 174693181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).