(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid

C11H15NO5S — CID 158324886

IUPAC(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid
SMILESN[C@@H](CCS)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H9NO2S/c8-6-4-2-1-3-5(6)7(9)10;5-3(1-2-8)4(6)7/h1-4,8H,(H,9,10);3,8H,1-2,5H2,(H,6,7)/t;3-/m.0/s1
InChIKeyGPHDBOWHGAOUSD-HVDRVSQOSA-N
MW273.31 g/mol
LogP0.81
Rot. Bonds4

About (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid

(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid (PubChem CID 158324886) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid
PubChem CID158324886
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid
SMILESN[C@@H](CCS)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H9NO2S/c8-6-4-2-1-3-5(6)7(9)10;5-3(1-2-8)4(6)7/h1-4,8H,(H,9,10);3,8H,1-2,5H2,(H,6,7)/t;3-/m.0/s1
InChIKeyGPHDBOWHGAOUSD-HVDRVSQOSA-N
XLogP0.81
TPSA120.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 157145146
2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158995174
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
2-amino-4-sulfanylbutanoic acid
CID 778
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid?
The IUPAC name of (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid (CID 158324886) is (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid.
What is the SMILES notation for (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid?
The canonical SMILES for (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid is N[C@@H](CCS)C(=O)O.O=C(O)c1ccccc1O.
What is the InChIKey of (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid?
The InChIKey is GPHDBOWHGAOUSD-HVDRVSQOSA-N. The full InChI is InChI=1S/C7H6O3.C4H9NO2S/c8-6-4-2-1-3-5(6)7(9)10;5-3(1-2-8)4(6)7/h1-4,8H,(H,9,10);3,8H,1-2,5H2,(H,6,7)/t;3-/m.0/s1.
What are the key properties of (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid?
(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid is sourced from PubChem (CID 158324886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).