(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid

C8H12N2O5S — CID 107773641

IUPAC(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
SMILESN[C@H](CSCC(=O)N1CCOC1=O)C(=O)O
InChIInChI=1S/C8H12N2O5S/c9-5(7(12)13)3-16-4-6(11)10-1-2-15-8(10)14/h5H,1-4,9H2,(H,12,13)/t5-/m1/s1
InChIKeyFPZITVKNJCCLPA-RXMQYKEDSA-N
MW248.26 g/mol
LogP-0.89
Rot. Bonds5

About (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid

(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid (PubChem CID 107773641) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
PubChem CID107773641
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
SMILESN[C@H](CSCC(=O)N1CCOC1=O)C(=O)O
InChIInChI=1S/C8H12N2O5S/c9-5(7(12)13)3-16-4-6(11)10-1-2-15-8(10)14/h5H,1-4,9H2,(H,12,13)/t5-/m1/s1
InChIKeyFPZITVKNJCCLPA-RXMQYKEDSA-N
XLogP-0.89
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid (CID 107773641) is (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid is N[C@H](CSCC(=O)N1CCOC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The InChIKey is FPZITVKNJCCLPA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O5S/c9-5(7(12)13)3-16-4-6(11)10-1-2-15-8(10)14/h5H,1-4,9H2,(H,12,13)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid has a molecular weight of 248.26 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 107773641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).