methyl 4-(cyclopentylamino)-3-methylbenzoate

C14H19NO2 — CID 43730521

IUPACmethyl 4-(cyclopentylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-9-11(14(16)17-2)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3
InChIKeyOFLMPPOEYFLZEW-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.14
Rot. Bonds3

About methyl 4-(cyclopentylamino)-3-methylbenzoate

methyl 4-(cyclopentylamino)-3-methylbenzoate (PubChem CID 43730521) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-(cyclopentylamino)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(cyclopentylamino)-3-methylbenzoate
PubChem CID43730521
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-(cyclopentylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-9-11(14(16)17-2)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3
InChIKeyOFLMPPOEYFLZEW-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
methyl 3-methyl-4-(thian-3-ylamino)benzoate
CID 62871262
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950
methyl 3-methyl-4-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561438
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
methyl 4-(cyclopropylamino)-3-fluorobenzoate
CID 139271670
ethyl 4-[(4-aminocyclohexyl)amino]-3-methylbenzoate
CID 130332687
methyl 3-methyl-4-[(2-methylsulfonylcyclopentyl)amino]benzoate
CID 65044287
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
methyl 3-[(3-cyclopropylcyclohexyl)amino]-4-methylbenzoate
CID 64596018
1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 170164863

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopentylamino)-3-methylbenzoate?
The IUPAC name of methyl 4-(cyclopentylamino)-3-methylbenzoate (CID 43730521) is methyl 4-(cyclopentylamino)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(cyclopentylamino)-3-methylbenzoate?
The canonical SMILES for methyl 4-(cyclopentylamino)-3-methylbenzoate is COC(=O)c1ccc(NC2CCCC2)c(C)c1.
What is the InChIKey of methyl 4-(cyclopentylamino)-3-methylbenzoate?
The InChIKey is OFLMPPOEYFLZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-9-11(14(16)17-2)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3.
What are the key properties of methyl 4-(cyclopentylamino)-3-methylbenzoate?
methyl 4-(cyclopentylamino)-3-methylbenzoate has a molecular weight of 233.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopentylamino)-3-methylbenzoate is sourced from PubChem (CID 43730521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).