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

C6H14N2O5S — CID 87207256

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESN[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C3H7NO3.C3H7NO2S/c4-2(1-5)3(6)7;4-2(1-7)3(5)6/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6)/t2*2-/m00/s1
InChIKeyIZRRYEWBKJOZIG-BXRBKJIMSA-N
MW226.25 g/mol
LogP-2.28
Rot. Bonds4

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

(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (PubChem CID 87207256) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
PubChem CID87207256
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESN[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C3H7NO3.C3H7NO2S/c4-2(1-5)3(6)7;4-2(1-7)3(5)6/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6)/t2*2-/m00/s1
InChIKeyIZRRYEWBKJOZIG-BXRBKJIMSA-N
XLogP-2.28
TPSA146.87 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.25
LogP ≤ 5-2.28
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

bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 158988010
(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
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (CID 87207256) is (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The InChIKey is IZRRYEWBKJOZIG-BXRBKJIMSA-N. The full InChI is InChI=1S/C3H7NO3.C3H7NO2S/c4-2(1-5)3(6)7;4-2(1-7)3(5)6/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6)/t2*2-/m00/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid has a molecular weight of 226.25 g/mol, XLogP of -2.28, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 87207256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).