methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate

C20H25NO6 — CID 8845905

IUPACmethyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)COC(=O)Cc1coc2cc(C)ccc12)C(=O)OC
InChIInChI=1S/C20H25NO6/c1-5-13(3)19(20(24)25-4)21-17(22)11-27-18(23)9-14-10-26-16-8-12(2)6-7-15(14)16/h6-8,10,13,19H,5,9,11H2,1-4H3,(H,21,22)/t13-,19-/m1/s1
InChIKeyGXHYNZSIVOGPAB-BFUOFWGJSA-N
MW375.42 g/mol
LogP2.53
Rot. Bonds8

About methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate

methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate (PubChem CID 8845905) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
PubChem CID8845905
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Namemethyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)COC(=O)Cc1coc2cc(C)ccc12)C(=O)OC
InChIInChI=1S/C20H25NO6/c1-5-13(3)19(20(24)25-4)21-17(22)11-27-18(23)9-14-10-26-16-8-12(2)6-7-15(14)16/h6-8,10,13,19H,5,9,11H2,1-4H3,(H,21,22)/t13-,19-/m1/s1
InChIKeyGXHYNZSIVOGPAB-BFUOFWGJSA-N
XLogP2.53
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872216
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525108
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8737539
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 42899513
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525175
methyl (2S,3S)-2-[[2-[2-(3,4-dichlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9203213

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate?
The IUPAC name of methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate (CID 8845905) is methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate.
What is the SMILES notation for methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate?
The canonical SMILES for methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate is CC[C@@H](C)[C@@H](NC(=O)COC(=O)Cc1coc2cc(C)ccc12)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate?
The InChIKey is GXHYNZSIVOGPAB-BFUOFWGJSA-N. The full InChI is InChI=1S/C20H25NO6/c1-5-13(3)19(20(24)25-4)21-17(22)11-27-18(23)9-14-10-26-16-8-12(2)6-7-15(14)16/h6-8,10,13,19H,5,9,11H2,1-4H3,(H,21,22)/t13-,19-/m1/s1.
What are the key properties of methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate?
methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate has a molecular weight of 375.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate is sourced from PubChem (CID 8845905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).