(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid

C10H17N3O5S — CID 122070573

IUPAC(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-3-4-5-7(10(14)15)13-19(16,17)8-6(2)18-12-9(8)11/h7,13H,3-5H2,1-2H3,(H2,11,12)(H,14,15)/t7-/m0/s1
InChIKeyCRFLOYAYHKBKBG-ZETCQYMHSA-N
MW291.33 g/mol
LogP0.49
Rot. Bonds7

About (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid

(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid (PubChem CID 122070573) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
PubChem CID122070573
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
SMILESCCCC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-3-4-5-7(10(14)15)13-19(16,17)8-6(2)18-12-9(8)11/h7,13H,3-5H2,1-2H3,(H2,11,12)(H,14,15)/t7-/m0/s1
InChIKeyCRFLOYAYHKBKBG-ZETCQYMHSA-N
XLogP0.49
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid (CID 122070573) is (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid is CCCC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)O.
What is the InChIKey of (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
The InChIKey is CRFLOYAYHKBKBG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-3-4-5-7(10(14)15)13-19(16,17)8-6(2)18-12-9(8)11/h7,13H,3-5H2,1-2H3,(H2,11,12)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid?
(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid has a molecular weight of 291.33 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 122070573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).