(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid

C11H18N2O5S — CID 93225906

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCC[C@](C)(NS(=O)(=O)c1c(C)noc1C)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-5-6-11(4,10(14)15)13-19(16,17)9-7(2)12-18-8(9)3/h13H,5-6H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYLLXUEOCBRLUGZ-NSHDSACASA-N
MW290.34 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 93225906) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
PubChem CID93225906
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCC[C@](C)(NS(=O)(=O)c1c(C)noc1C)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-5-6-11(4,10(14)15)13-19(16,17)9-7(2)12-18-8(9)3/h13H,5-6H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYLLXUEOCBRLUGZ-NSHDSACASA-N
XLogP1.21
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Dimethyl-1,2-oxazole-4-sulfonamido)acetic acid
CID 3243165
1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4133722
ethyl N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]glycinate
CID 3237674
2-(Dimethyl-1,2-oxazole-4-sulfonamido)propanoic acid
CID 4750204
rel-(2R)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonamido)propanoicacid
CID 40479774
N-((1-hydroxycyclopentyl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 49718078
Methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 56811868
(2S)-3-amino-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 70156130
methyl (2S)-3-amino-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate;2,2,2-trifluoroacetic acid
CID 157372878
2-(DiMethyl-1,2-oxazole-4-sulfonamido)-4-methylpentanoic acid
CID 23010483
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793315
N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6619403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid (CID 93225906) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid is CCC[C@](C)(NS(=O)(=O)c1c(C)noc1C)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is YLLXUEOCBRLUGZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-5-6-11(4,10(14)15)13-19(16,17)9-7(2)12-18-8(9)3/h13H,5-6H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 290.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 93225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).