(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid

C4H7NO3S — CID 87166962

IUPAC(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid
SMILESN[C@@H](CS)C(=O)C(=O)O
InChIInChI=1S/C4H7NO3S/c5-2(1-9)3(6)4(7)8/h2,9H,1,5H2,(H,7,8)/t2-/m0/s1
InChIKeyNLDSRZIXWMVQNZ-REOHCLBHSA-N
MW149.17 g/mol
LogP-1.10
Rot. Bonds3

About (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid

(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid (PubChem CID 87166962) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid
PubChem CID87166962
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid
SMILESN[C@@H](CS)C(=O)C(=O)O
InChIInChI=1S/C4H7NO3S/c5-2(1-9)3(6)4(7)8/h2,9H,1,5H2,(H,7,8)/t2-/m0/s1
InChIKeyNLDSRZIXWMVQNZ-REOHCLBHSA-N
XLogP-1.10
TPSA80.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
(2R,5S)-2,5-diamino-6-methyl-1-sulfanylheptane-3,4-dione
CID 90708080

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid?
The IUPAC name of (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid (CID 87166962) is (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid.
What is the SMILES notation for (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid?
The canonical SMILES for (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid is N[C@@H](CS)C(=O)C(=O)O.
What is the InChIKey of (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid?
The InChIKey is NLDSRZIXWMVQNZ-REOHCLBHSA-N. The full InChI is InChI=1S/C4H7NO3S/c5-2(1-9)3(6)4(7)8/h2,9H,1,5H2,(H,7,8)/t2-/m0/s1.
What are the key properties of (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid?
(3R)-3-amino-2-oxo-4-sulfanylbutanoic acid has a molecular weight of 149.17 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2-oxo-4-sulfanylbutanoic acid is sourced from PubChem (CID 87166962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).