5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate

C16H24N2O5S — CID 20796022

IUPAC5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate
SMILESCOC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1csc(C)n1
InChIInChI=1S/C16H24N2O5S/c1-10-17-11(9-24-10)8-13(19)18-12(15(21)22-5)6-7-14(20)23-16(2,3)4/h9,12H,6-8H2,1-5H3,(H,18,19)
InChIKeyVDYGHFSGKSLYDC-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.77
Rot. Bonds7

About 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate

5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate (PubChem CID 20796022) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate.

Molecular Properties

Compound Name5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate
PubChem CID20796022
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate
SMILESCOC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1csc(C)n1
InChIInChI=1S/C16H24N2O5S/c1-10-17-11(9-24-10)8-13(19)18-12(15(21)22-5)6-7-14(20)23-16(2,3)4/h9,12H,6-8H2,1-5H3,(H,18,19)
InChIKeyVDYGHFSGKSLYDC-UHFFFAOYSA-N
XLogP1.77
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate with MolForge

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Related Compounds

(2S)-4-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 63307024
2-[2-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10716036
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
4-[(2-methylpropan-2-yl)oxy]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxobutanoic acid
CID 67209286
1-O-tert-butyl 5-O-methyl (2S)-2-[[16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoyl]amino]pentanedioate
CID 168721515
methyl 2-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoate
CID 43431437
N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate?
The IUPAC name of 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate (CID 20796022) is 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate.
What is the SMILES notation for 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate?
The canonical SMILES for 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate is COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1csc(C)n1.
What is the InChIKey of 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate?
The InChIKey is VDYGHFSGKSLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-10-17-11(9-24-10)8-13(19)18-12(15(21)22-5)6-7-14(20)23-16(2,3)4/h9,12H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate?
5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate has a molecular weight of 356.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 1-O-methyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanedioate is sourced from PubChem (CID 20796022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).