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

C11H18N2O5S — CID 28788093

IUPAC(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-4-7(2)10(11(14)15)13-19(16,17)6-9-5-8(3)18-12-9/h5,7,10,13H,4,6H2,1-3H3,(H,14,15)/t7-,10-/m0/s1
InChIKeyIFNREMPVVIVOMI-XVKPBYJWSA-N
MW290.34 g/mol
LogP0.90
Rot. Bonds7

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

(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid (PubChem CID 28788093) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
PubChem CID28788093
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-4-7(2)10(11(14)15)13-19(16,17)6-9-5-8(3)18-12-9/h5,7,10,13H,4,6H2,1-3H3,(H,14,15)/t7-,10-/m0/s1
InChIKeyIFNREMPVVIVOMI-XVKPBYJWSA-N
XLogP0.90
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 65193475
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 82714251
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid (CID 28788093) is (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)Cc1cc(C)on1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid?
The InChIKey is IFNREMPVVIVOMI-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-4-7(2)10(11(14)15)13-19(16,17)6-9-5-8(3)18-12-9/h5,7,10,13H,4,6H2,1-3H3,(H,14,15)/t7-,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid?
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid has a molecular weight of 290.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid is sourced from PubChem (CID 28788093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).