(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid

C8H12N2O5S — CID 28788047

IUPAC(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
SMILESCc1cc(CS(=O)(=O)N[C@@H](C)C(=O)O)no1
InChIInChI=1S/C8H12N2O5S/c1-5-3-7(9-15-5)4-16(13,14)10-6(2)8(11)12/h3,6,10H,4H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyDBZKSIYWUMKMNR-LURJTMIESA-N
MW248.26 g/mol
LogP-0.12
Rot. Bonds5

About (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid

(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid (PubChem CID 28788047) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
PubChem CID28788047
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
SMILESCc1cc(CS(=O)(=O)N[C@@H](C)C(=O)O)no1
InChIInChI=1S/C8H12N2O5S/c1-5-3-7(9-15-5)4-16(13,14)10-6(2)8(11)12/h3,6,10H,4H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyDBZKSIYWUMKMNR-LURJTMIESA-N
XLogP-0.12
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
CID 28788093
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 65193475
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 82714251
N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 115642587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid (CID 28788047) is (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid is Cc1cc(CS(=O)(=O)N[C@@H](C)C(=O)O)no1.
What is the InChIKey of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid?
The InChIKey is DBZKSIYWUMKMNR-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O5S/c1-5-3-7(9-15-5)4-16(13,14)10-6(2)8(11)12/h3,6,10H,4H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid?
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid has a molecular weight of 248.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid is sourced from PubChem (CID 28788047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).