methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate

C16H21NO5 — CID 7848385

IUPACmethyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(C)C
InChIInChI=1S/C16H21NO5/c1-11(2)8-9-15(19)22-10-14(18)17-13-7-5-4-6-12(13)16(20)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyHTJFLYLOQHXAAL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.39
Rot. Bonds7

About methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate

methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate (PubChem CID 7848385) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
PubChem CID7848385
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(C)C
InChIInChI=1S/C16H21NO5/c1-11(2)8-9-15(19)22-10-14(18)17-13-7-5-4-6-12(13)16(20)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyHTJFLYLOQHXAAL-UHFFFAOYSA-N
XLogP2.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
methyl 4-methyl-3-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848077
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848136
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
methyl 2-[[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxy]acetyl]amino]benzoate
CID 8530834
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate (CID 7848385) is methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)CCC(C)C.
What is the InChIKey of methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate?
The InChIKey is HTJFLYLOQHXAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(2)8-9-15(19)22-10-14(18)17-13-7-5-4-6-12(13)16(20)21-3/h4-7,11H,8-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate?
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate has a molecular weight of 307.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate is sourced from PubChem (CID 7848385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).