(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid

C10H14N2O4S — CID 104906343

IUPAC(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)c1oncc1C)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6-5-11-16-8(6)9(13)12-7(10(14)15)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyZJJKUIGCWDOKNT-SSDOTTSWSA-N
MW258.30 g/mol
LogP0.92
Rot. Bonds6

About (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid

(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 104906343) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID104906343
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)c1oncc1C)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6-5-11-16-8(6)9(13)12-7(10(14)15)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyZJJKUIGCWDOKNT-SSDOTTSWSA-N
XLogP0.92
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66336140
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81076607
(2R)-2-[(5-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906391
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
(2R)-2-[(2,4-dimethylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 30045030
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
4-methylsulfanyl-2-(1,2-oxazol-5-ylcarbamoylamino)butanoic acid
CID 108813989
(2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114036564
2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 3847081
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906495

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid (CID 104906343) is (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](NC(=O)c1oncc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is ZJJKUIGCWDOKNT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-5-11-16-8(6)9(13)12-7(10(14)15)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104906343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).