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

C3H7FeNO2S — CID 87142909

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;iron
SMILESN[C@@H](CS)C(=O)O.[Fe]
InChIInChI=1S/C3H7NO2S.Fe/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1
InChIKeyWPQSNMCKACDGEG-DKWTVANSSA-N
MW177.01 g/mol
LogP-0.67
Rot. Bonds2

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

(2R)-2-amino-3-sulfanylpropanoic acid;iron (PubChem CID 87142909) has the molecular formula C3H7FeNO2S and a molecular weight of 177.01 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;iron.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;iron
PubChem CID87142909
Molecular FormulaC3H7FeNO2S
Molecular Weight177.01 g/mol
Exact Mass176.95
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;iron
SMILESN[C@@H](CS)C(=O)O.[Fe]
InChIInChI=1S/C3H7NO2S.Fe/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1
InChIKeyWPQSNMCKACDGEG-DKWTVANSSA-N
XLogP-0.67
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.01
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
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;iron?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;iron (CID 87142909) is (2R)-2-amino-3-sulfanylpropanoic acid;iron.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;iron?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;iron is N[C@@H](CS)C(=O)O.[Fe].
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;iron?
The InChIKey is WPQSNMCKACDGEG-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2S.Fe/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);/t2-;/m0./s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;iron?
(2R)-2-amino-3-sulfanylpropanoic acid;iron has a molecular weight of 177.01 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;iron is sourced from PubChem (CID 87142909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).