tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate

C13H23N3O2S — CID 88624094

IUPACtert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate
SMILESCC(C)(C)OC(=O)C(C)(N)CCCc1csc(N)n1
InChIInChI=1S/C13H23N3O2S/c1-12(2,3)18-10(17)13(4,15)7-5-6-9-8-19-11(14)16-9/h8H,5-7,15H2,1-4H3,(H2,14,16)
InChIKeyATTSYCGJQFSKDN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.11
Rot. Bonds5

About tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate

tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate (PubChem CID 88624094) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate
PubChem CID88624094
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nametert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate
SMILESCC(C)(C)OC(=O)C(C)(N)CCCc1csc(N)n1
InChIInChI=1S/C13H23N3O2S/c1-12(2,3)18-10(17)13(4,15)7-5-6-9-8-19-11(14)16-9/h8H,5-7,15H2,1-4H3,(H2,14,16)
InChIKeyATTSYCGJQFSKDN-UHFFFAOYSA-N
XLogP2.11
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate?
The IUPAC name of tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate (CID 88624094) is tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate.
What is the SMILES notation for tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate?
The canonical SMILES for tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate is CC(C)(C)OC(=O)C(C)(N)CCCc1csc(N)n1.
What is the InChIKey of tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate?
The InChIKey is ATTSYCGJQFSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12(2,3)18-10(17)13(4,15)7-5-6-9-8-19-11(14)16-9/h8H,5-7,15H2,1-4H3,(H2,14,16).
What are the key properties of tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate?
tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate has a molecular weight of 285.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate is sourced from PubChem (CID 88624094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).