methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate

C14H20N2O2 — CID 64688080

IUPACmethyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2(C)CCCC2)ccc1N
InChIInChI=1S/C14H20N2O2/c1-14(7-3-4-8-14)16-10-5-6-12(15)11(9-10)13(17)18-2/h5-6,9,16H,3-4,7-8,15H2,1-2H3
InChIKeyWCLANACNSITWIR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate

methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate (PubChem CID 64688080) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate
PubChem CID64688080
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2(C)CCCC2)ccc1N
InChIInChI=1S/C14H20N2O2/c1-14(7-3-4-8-14)16-10-5-6-12(15)11(9-10)13(17)18-2/h5-6,9,16H,3-4,7-8,15H2,1-2H3
InChIKeyWCLANACNSITWIR-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-[(1-methylcyclopentyl)amino]benzoate
CID 64688672
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
methyl 2-amino-5-(8-azaspiro[4.5]decan-8-yl)benzoate
CID 63161957
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073
methyl 2-amino-5-[(3,5-dimethylcyclohexyl)amino]benzoate
CID 64731768
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
CID 144556963
CID 144556963
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
methyl 5-(2-acetamidoethylamino)-2-aminobenzoate
CID 61306597

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate?
The IUPAC name of methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate (CID 64688080) is methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate is COC(=O)c1cc(NC2(C)CCCC2)ccc1N.
What is the InChIKey of methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate?
The InChIKey is WCLANACNSITWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-3-4-8-14)16-10-5-6-12(15)11(9-10)13(17)18-2/h5-6,9,16H,3-4,7-8,15H2,1-2H3.
What are the key properties of methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate?
methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate has a molecular weight of 248.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(1-methylcyclopentyl)amino]benzoate is sourced from PubChem (CID 64688080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).