(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid

C6H14N2O4S2 — CID 87266348

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
SMILESNC(CS)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/2C3H7NO2S/c2*4-2(1-7)3(5)6/h2*2,7H,1,4H2,(H,5,6)/t2-;/m0./s1
InChIKeyYVOOPGWEIRIUOX-DKWTVANSSA-N
MW242.32 g/mol
LogP-1.34
Rot. Bonds4

About (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid (PubChem CID 87266348) has the molecular formula C6H14N2O4S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
PubChem CID87266348
Molecular FormulaC6H14N2O4S2
Molecular Weight242.32 g/mol
Exact Mass242.04
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
SMILESNC(CS)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/2C3H7NO2S/c2*4-2(1-7)3(5)6/h2*2,7H,1,4H2,(H,5,6)/t2-;/m0./s1
InChIKeyYVOOPGWEIRIUOX-DKWTVANSSA-N
XLogP-1.34
TPSA126.64 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid (CID 87266348) is (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid is NC(CS)C(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid?
The InChIKey is YVOOPGWEIRIUOX-DKWTVANSSA-N. The full InChI is InChI=1S/2C3H7NO2S/c2*4-2(1-7)3(5)6/h2*2,7H,1,4H2,(H,5,6)/t2-;/m0./s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid?
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of -1.34, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 87266348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).