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

C15H17NO5 — CID 8019672

IUPACmethyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)11-5-7-12(8-6-11)16-13(17)9-21-15(19)10-3-2-4-10/h5-8,10H,2-4,9H2,1H3,(H,16,17)
InChIKeyPZVDEMLNPNSYGI-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.75
Rot. Bonds5

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

methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate (PubChem CID 8019672) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
PubChem CID8019672
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)11-5-7-12(8-6-11)16-13(17)9-21-15(19)10-3-2-4-10/h5-8,10H,2-4,9H2,1H3,(H,16,17)
InChIKeyPZVDEMLNPNSYGI-UHFFFAOYSA-N
XLogP1.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
dimethyl 2-[[2-(cyclopentanecarbonyloxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 7717656
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
[2-(4-acetylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187246
methyl 4-[[2-[5-(cyclohexylamino)-5-oxopentanoyl]oxyacetyl]amino]benzoate
CID 9067659
methyl 4-[[2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyloxy]acetyl]amino]benzoate
CID 7635498
[2-(4-carbamoylanilino)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937643
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate (CID 8019672) is methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)C2CCC2)cc1.
What is the InChIKey of methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate?
The InChIKey is PZVDEMLNPNSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-14(18)11-5-7-12(8-6-11)16-13(17)9-21-15(19)10-3-2-4-10/h5-8,10H,2-4,9H2,1H3,(H,16,17).
What are the key properties of methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate?
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate has a molecular weight of 291.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate is sourced from PubChem (CID 8019672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).