(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid

C8H14N2O5S — CID 91139136

IUPAC(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSC[C@H](O)C(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-4(11)10-5(8(14)15)2-16-3-6(12)7(9)13/h5-6,12H,2-3H2,1H3,(H2,9,13)(H,10,11)(H,14,15)/t5-,6-/m0/s1
InChIKeyGFVUOIIZUCFXSF-WDSKDSINSA-N
MW250.28 g/mol
LogP-1.84
Rot. Bonds7

About (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid

(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid (PubChem CID 91139136) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid
PubChem CID91139136
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSC[C@H](O)C(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-4(11)10-5(8(14)15)2-16-3-6(12)7(9)13/h5-6,12H,2-3H2,1H3,(H2,9,13)(H,10,11)(H,14,15)/t5-,6-/m0/s1
InChIKeyGFVUOIIZUCFXSF-WDSKDSINSA-N
XLogP-1.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid (CID 91139136) is (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid is CC(=O)N[C@@H](CSC[C@H](O)C(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid?
The InChIKey is GFVUOIIZUCFXSF-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-4(11)10-5(8(14)15)2-16-3-6(12)7(9)13/h5-6,12H,2-3H2,1H3,(H2,9,13)(H,10,11)(H,14,15)/t5-,6-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid?
(2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid has a molecular weight of 250.28 g/mol, XLogP of -1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(2R)-3-amino-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid is sourced from PubChem (CID 91139136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).