(3S)-2-amino-3-sulfanylbutanoic acid

C4H9NO2S — CID 118648902

IUPAC(3S)-2-amino-3-sulfanylbutanoic acid
SMILESC[C@H](S)C(N)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3?/m0/s1
InChIKeyTYEIDAYBPNPVII-SCQFTWEKSA-N
MW135.19 g/mol
LogP-0.28
Rot. Bonds2

About (3S)-2-amino-3-sulfanylbutanoic acid

(3S)-2-amino-3-sulfanylbutanoic acid (PubChem CID 118648902) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (3S)-2-amino-3-sulfanylbutanoic acid.

Molecular Properties

Compound Name(3S)-2-amino-3-sulfanylbutanoic acid
PubChem CID118648902
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(3S)-2-amino-3-sulfanylbutanoic acid
SMILESC[C@H](S)C(N)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3?/m0/s1
InChIKeyTYEIDAYBPNPVII-SCQFTWEKSA-N
XLogP-0.28
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methylbutanedioic acid
CID 852
(4S)-3-amino-4-sulfanylpentan-2-one
CID 118374887
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
silver 2-amino-3-methylbutanoic acid
CID 19021116
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
(5R)-2-amino-3-methyl-5-sulfanylhexanoic acid
CID 88951823

Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-3-sulfanylbutanoic acid?
The IUPAC name of (3S)-2-amino-3-sulfanylbutanoic acid (CID 118648902) is (3S)-2-amino-3-sulfanylbutanoic acid.
What is the SMILES notation for (3S)-2-amino-3-sulfanylbutanoic acid?
The canonical SMILES for (3S)-2-amino-3-sulfanylbutanoic acid is C[C@H](S)C(N)C(=O)O.
What is the InChIKey of (3S)-2-amino-3-sulfanylbutanoic acid?
The InChIKey is TYEIDAYBPNPVII-SCQFTWEKSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3?/m0/s1.
What are the key properties of (3S)-2-amino-3-sulfanylbutanoic acid?
(3S)-2-amino-3-sulfanylbutanoic acid has a molecular weight of 135.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-3-sulfanylbutanoic acid is sourced from PubChem (CID 118648902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).