(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid

C7H12N2O4S — CID 58071240

IUPAC(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCC1CNC(=O)O1)C(=O)O
InChIInChI=1S/C7H12N2O4S/c8-5(6(10)11)3-14-2-4-1-9-7(12)13-4/h4-5H,1-3,8H2,(H,9,12)(H,10,11)/t4?,5-/m0/s1
InChIKeyVCSZGJAJAQCEIU-AKGZTFGVSA-N
MW220.25 g/mol
LogP-0.76
Rot. Bonds5

About (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid (PubChem CID 58071240) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid
PubChem CID58071240
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCC1CNC(=O)O1)C(=O)O
InChIInChI=1S/C7H12N2O4S/c8-5(6(10)11)3-14-2-4-1-9-7(12)13-4/h4-5H,1-3,8H2,(H,9,12)(H,10,11)/t4?,5-/m0/s1
InChIKeyVCSZGJAJAQCEIU-AKGZTFGVSA-N
XLogP-0.76
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid (CID 58071240) is (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid is N[C@@H](CSCC1CNC(=O)O1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid?
The InChIKey is VCSZGJAJAQCEIU-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H12N2O4S/c8-5(6(10)11)3-14-2-4-1-9-7(12)13-4/h4-5H,1-3,8H2,(H,9,12)(H,10,11)/t4?,5-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid has a molecular weight of 220.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(2-oxo-1,3-oxazolidin-5-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 58071240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).