methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate

C15H20N2O3 — CID 115447650

IUPACmethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(CN)CCC2)c1C
InChIInChI=1S/C15H20N2O3/c1-10-11(13(18)20-2)5-3-6-12(10)17-14(19)15(9-16)7-4-8-15/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyWILJDEXSGDWAAT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds4

About methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate

methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate (PubChem CID 115447650) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
PubChem CID115447650
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(CN)CCC2)c1C
InChIInChI=1S/C15H20N2O3/c1-10-11(13(18)20-2)5-3-6-12(10)17-14(19)15(9-16)7-4-8-15/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyWILJDEXSGDWAAT-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate 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

1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 114257264
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
CID 119678118
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate (CID 115447650) is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)C2(CN)CCC2)c1C.
What is the InChIKey of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate?
The InChIKey is WILJDEXSGDWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-11(13(18)20-2)5-3-6-12(10)17-14(19)15(9-16)7-4-8-15/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate?
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate is sourced from PubChem (CID 115447650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).