tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate

C14H24N2O5S — CID 59047304

IUPACtert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5S/c1-9(7-8-12(17)20-14(4,5)6)16-22(18,19)13-10(2)15-21-11(13)3/h9,16H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyGMPXMFPFQZJBAW-SECBINFHSA-N
MW332.42 g/mol
LogP2.08
Rot. Bonds6

About tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate

tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate (PubChem CID 59047304) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate
PubChem CID59047304
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Nametert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5S/c1-9(7-8-12(17)20-14(4,5)6)16-22(18,19)13-10(2)15-21-11(13)3/h9,16H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyGMPXMFPFQZJBAW-SECBINFHSA-N
XLogP2.08
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate?
The IUPAC name of tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate (CID 59047304) is tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate.
What is the SMILES notation for tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate?
The canonical SMILES for tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate is Cc1noc(C)c1S(=O)(=O)N[C@H](C)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate?
The InChIKey is GMPXMFPFQZJBAW-SECBINFHSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-9(7-8-12(17)20-14(4,5)6)16-22(18,19)13-10(2)15-21-11(13)3/h9,16H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate?
tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate has a molecular weight of 332.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pentanoate is sourced from PubChem (CID 59047304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).