2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride

C6H15ClN2O2S — CID 53461459

IUPAC2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride
SMILESNC(CCSCC[NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H14N2O2S.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
InChIKeyLOFVOIGYXQLCIM-UHFFFAOYSA-N
MW214.72 g/mol
LogP-4.23
Rot. Bonds6

About 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride

2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride (PubChem CID 53461459) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride.

Molecular Properties

Compound Name2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride
PubChem CID53461459
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride
SMILESNC(CCSCC[NH3+])C(=O)O.[Cl-]
InChIInChI=1S/C6H14N2O2S.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
InChIKeyLOFVOIGYXQLCIM-UHFFFAOYSA-N
XLogP-4.23
TPSA90.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-4.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-(hydroxymethylsulfanyl)butanoic acid
CID 87253525
2-amino-4-[3-(3-amino-3-carboxypropyl)sulfanylpropylsulfanyl]butanoic acid
CID 110192936
2-amino-4-(3-amino-4-oxopentyl)sulfanylbutanoic acid
CID 159551936
2-amino-4-[2-(carboxymethylsulfanyl)ethylsulfanyl]butanoic acid
CID 11622975
2-[[(3S)-3-amino-3-carboxypropyl]sulfanylmethyl]propanedioic acid
CID 87535505
(2R)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113695
(2S)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113694
(2S)-2-amino-4-(4-methylpentylsulfanyl)butanoic acid
CID 134212604
(2S)-2-amino-4-(2-propan-2-ylsulfanylethylsulfanyl)butanoic acid
CID 134211967
2-amino-4-(3-methylbut-3-enylsulfanyl)butanoic acid
CID 114472697
6-(3-amino-3-carboxypropyl)sulfanylhexanoic acid
CID 11673234
2-amino-4-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 60917450

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride?
The IUPAC name of 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride (CID 53461459) is 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride.
What is the SMILES notation for 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride?
The canonical SMILES for 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride is NC(CCSCC[NH3+])C(=O)O.[Cl-].
What is the InChIKey of 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride?
The InChIKey is LOFVOIGYXQLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H.
What are the key properties of 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride?
2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride has a molecular weight of 214.72 g/mol, XLogP of -4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-carboxypropyl)sulfanylethylazanium chloride is sourced from PubChem (CID 53461459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).