methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate

C19H25NO7 — CID 8806342

IUPACmethyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H25NO7/c1-12(2)9-16(19(24)25-4)20-17(22)10-27-18(23)11-26-15-7-5-14(6-8-15)13(3)21/h5-8,12,16H,9-11H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyZQODLOYCQGHZKU-MRXNPFEDSA-N
MW379.41 g/mol
LogP1.52
Rot. Bonds10

About methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate

methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate (PubChem CID 8806342) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
PubChem CID8806342
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Namemethyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H25NO7/c1-12(2)9-16(19(24)25-4)20-17(22)10-27-18(23)11-26-15-7-5-14(6-8-15)13(3)21/h5-8,12,16H,9-11H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyZQODLOYCQGHZKU-MRXNPFEDSA-N
XLogP1.52
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-[3-acetamido-3-(4-methoxyphenyl)propanoyl]oxyacetyl]amino]-4-methylpentanoate
CID 55402517
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
methyl 4-methyl-2-[[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
CID 46683960
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806377
methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 42936092
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806365
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9229346
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate (CID 8806342) is methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)COc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate?
The InChIKey is ZQODLOYCQGHZKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO7/c1-12(2)9-16(19(24)25-4)20-17(22)10-27-18(23)11-26-15-7-5-14(6-8-15)13(3)21/h5-8,12,16H,9-11H2,1-4H3,(H,20,22)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate has a molecular weight of 379.41 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 8806342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).