methyl 3-[(2-cyclobutylacetyl)amino]benzoate

C14H17NO3 — CID 103706367

IUPACmethyl 3-[(2-cyclobutylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CC2CCC2)c1
InChIInChI=1S/C14H17NO3/c1-18-14(17)11-6-3-7-12(9-11)15-13(16)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyBPMQXSOGZODBGY-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.60
Rot. Bonds4

About methyl 3-[(2-cyclobutylacetyl)amino]benzoate

methyl 3-[(2-cyclobutylacetyl)amino]benzoate (PubChem CID 103706367) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-[(2-cyclobutylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclobutylacetyl)amino]benzoate
PubChem CID103706367
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-[(2-cyclobutylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CC2CCC2)c1
InChIInChI=1S/C14H17NO3/c1-18-14(17)11-6-3-7-12(9-11)15-13(16)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyBPMQXSOGZODBGY-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[(2-cyclohexylacetyl)amino]benzene-1,3-dicarboxylate
CID 46798654
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
methyl 3-[[2-[4-[2-(3-methoxycarbonylanilino)-2-oxoethyl]-1,1-dioxothiolan-3-yl]acetyl]amino]benzoate
CID 21179067
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
methyl 3-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzoate
CID 112770322
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
CID 54786138

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclobutylacetyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-cyclobutylacetyl)amino]benzoate (CID 103706367) is methyl 3-[(2-cyclobutylacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-cyclobutylacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-cyclobutylacetyl)amino]benzoate is COC(=O)c1cccc(NC(=O)CC2CCC2)c1.
What is the InChIKey of methyl 3-[(2-cyclobutylacetyl)amino]benzoate?
The InChIKey is BPMQXSOGZODBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-14(17)11-6-3-7-12(9-11)15-13(16)8-10-4-2-5-10/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of methyl 3-[(2-cyclobutylacetyl)amino]benzoate?
methyl 3-[(2-cyclobutylacetyl)amino]benzoate has a molecular weight of 247.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclobutylacetyl)amino]benzoate is sourced from PubChem (CID 103706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).