[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate

C17H26N2O5S — CID 122521411

IUPAC[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1
InChIInChI=1S/C17H26N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13H,7-8H2,1-6H3,(H,19,22)/t13-/m1/s1
InChIKeyVKGPBFJXKJOKJQ-CYBMUJFWSA-N
MW370.47 g/mol
LogP3.33
Rot. Bonds7

About [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate

[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate (PubChem CID 122521411) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
PubChem CID122521411
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1
InChIInChI=1S/C17H26N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13H,7-8H2,1-6H3,(H,19,22)/t13-/m1/s1
InChIKeyVKGPBFJXKJOKJQ-CYBMUJFWSA-N
XLogP3.33
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate with MolForge

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Related Compounds

[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate
CID 122521409
[2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
CID 122521560
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
ethyl 2-[(3R)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoyl]-1,3-thiazole-4-carboxylate
CID 10272579
2-[1-acetyloxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid;ethane
CID 145146468
tert-butyl N-[(1Z,3S)-1-amino-1-hydroxyimino-4-methylpentan-3-yl]carbamate
CID 138708705
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
ethyl 2-[3-(tert-butylsulfinylamino)-4-methylpentanoyl]-1,3-thiazole-4-carboxylate
CID 123454709
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(3R)-6-bromo-2-methyl-5-oxohexan-3-yl]carbamate
CID 170910641
ethane;2-[1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 142543096
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate (CID 122521411) is [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1csc(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1.
What is the InChIKey of [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is VKGPBFJXKJOKJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13H,7-8H2,1-6H3,(H,19,22)/t13-/m1/s1.
What are the key properties of [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate?
[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 370.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 122521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).