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

C10H14N2O6S — CID 66336140

IUPAC2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCc1cnoc1C(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-6-5-11-18-8(6)9(13)12-7(10(14)15)3-4-19(2,16)17/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySKOACEODTNKWBJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.40
Rot. Bonds6

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

2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid (PubChem CID 66336140) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
PubChem CID66336140
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCc1cnoc1C(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-6-5-11-18-8(6)9(13)12-7(10(14)15)3-4-19(2,16)17/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySKOACEODTNKWBJ-UHFFFAOYSA-N
XLogP-0.40
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906343
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81076607
2-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43094510
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 43171999
2-(furan-3-carbonylamino)-4-methylsulfonylbutanoic acid
CID 18073178
2-[(4-hydroxy-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 107670694
2-[(2-bromofuran-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 106850886
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
2-[[2-(methylamino)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 61157970
2-[(5-fluoro-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 63048065
2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43098910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid (CID 66336140) is 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid is Cc1cnoc1C(=O)NC(CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The InChIKey is SKOACEODTNKWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-6-5-11-18-8(6)9(13)12-7(10(14)15)3-4-19(2,16)17/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid?
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid has a molecular weight of 290.30 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 66336140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).