methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate

C15H22N2O2 — CID 104824299

IUPACmethyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CN(C)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(12-7-3-4-8-12)10-11-6-5-9-13(16)14(11)15(18)19-2/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyCUZRMIIAWOVSDO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds4

About methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate

methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate (PubChem CID 104824299) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
PubChem CID104824299
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CN(C)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(12-7-3-4-8-12)10-11-6-5-9-13(16)14(11)15(18)19-2/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3
InChIKeyCUZRMIIAWOVSDO-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
CID 104824298
methyl 2-amino-6-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzoate
CID 104824404
methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
CID 102860229
methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308
methyl 2-amino-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 104824669
methyl 2-amino-6-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzoate
CID 106914531
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
methyl 2-amino-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoate
CID 104824344
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate (CID 104824299) is methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate is COC(=O)c1c(N)cccc1CN(C)C1CCCC1.
What is the InChIKey of methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate?
The InChIKey is CUZRMIIAWOVSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(12-7-3-4-8-12)10-11-6-5-9-13(16)14(11)15(18)19-2/h5-6,9,12H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate?
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate is sourced from PubChem (CID 104824299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).