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

C13H14N2O3S — CID 61142516

IUPAC(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1ncc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C13H14N2O3S/c14-10(13(16)17)7-19-8-12-15-6-11(18-12)9-4-2-1-3-5-9/h1-6,10H,7-8,14H2,(H,16,17)/t10-/m0/s1
InChIKeyINCKQPOEGHPBMQ-JTQLQIEISA-N
MW278.33 g/mol
LogP1.99
Rot. Bonds6

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

(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid (PubChem CID 61142516) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
PubChem CID61142516
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1ncc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C13H14N2O3S/c14-10(13(16)17)7-19-8-12-15-6-11(18-12)9-4-2-1-3-5-9/h1-6,10H,7-8,14H2,(H,16,17)/t10-/m0/s1
InChIKeyINCKQPOEGHPBMQ-JTQLQIEISA-N
XLogP1.99
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid (CID 61142516) is (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid is N[C@@H](CSCc1ncc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid?
The InChIKey is INCKQPOEGHPBMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-10(13(16)17)7-19-8-12-15-6-11(18-12)9-4-2-1-3-5-9/h1-6,10H,7-8,14H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid has a molecular weight of 278.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 61142516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).