tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate

C13H24N2O5S — CID 123359932

IUPACtert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate
SMILESCC(C)(C)OC(=O)C[C@H](N)C=CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O5S/c1-13(2,3)20-12(16)10-11(14)4-9-21(17,18)15-5-7-19-8-6-15/h4,9,11H,5-8,10,14H2,1-3H3/t11-/m1/s1
InChIKeyLCXUWIOQJBMYAV-LLVKDONJSA-N
MW320.41 g/mol
LogP0.22
Rot. Bonds5

About tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate

tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate (PubChem CID 123359932) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate
PubChem CID123359932
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Nametert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate
SMILESCC(C)(C)OC(=O)C[C@H](N)C=CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O5S/c1-13(2,3)20-12(16)10-11(14)4-9-21(17,18)15-5-7-19-8-6-15/h4,9,11H,5-8,10,14H2,1-3H3/t11-/m1/s1
InChIKeyLCXUWIOQJBMYAV-LLVKDONJSA-N
XLogP0.22
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-5-[(2-methylpropan-2-yl)oxy]hexa-1,5-dienyl]sulfonylmorpholine
CID 91364609
tert-butyl (3R)-3-aminohex-4-enoate
CID 2733827
tert-butyl (E,3S)-3-ethyl-6,6-dimethyl-5-morpholin-4-ylhept-4-enoate
CID 177398558
tert-butyl 3,3-diaminopropanoate
CID 57031897
ditert-butyl (3S)-3-amino-2-oxopentanedioate
CID 175802480
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
CID 163325198
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
tert-butyl (3S)-3,4-diamino-4-oxobutanoate
CID 7019655

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate?
The IUPAC name of tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate (CID 123359932) is tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate?
The canonical SMILES for tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate is CC(C)(C)OC(=O)C[C@H](N)C=CS(=O)(=O)N1CCOCC1.
What is the InChIKey of tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate?
The InChIKey is LCXUWIOQJBMYAV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-13(2,3)20-12(16)10-11(14)4-9-21(17,18)15-5-7-19-8-6-15/h4,9,11H,5-8,10,14H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate?
tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate has a molecular weight of 320.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-5-morpholin-4-ylsulfonylpent-4-enoate is sourced from PubChem (CID 123359932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).