cyclopentyl 3-amino-4-methylbenzoate

C13H17NO2 — CID 61278814

IUPACcyclopentyl 3-amino-4-methylbenzoate
SMILESCc1ccc(C(=O)OC2CCCC2)cc1N
InChIInChI=1S/C13H17NO2/c1-9-6-7-10(8-12(9)14)13(15)16-11-4-2-3-5-11/h6-8,11H,2-5,14H2,1H3
InChIKeyQQEOGEOMVAOMQH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.68
Rot. Bonds2

About cyclopentyl 3-amino-4-methylbenzoate

cyclopentyl 3-amino-4-methylbenzoate (PubChem CID 61278814) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclopentyl 3-amino-4-methylbenzoate.

Molecular Properties

Compound Namecyclopentyl 3-amino-4-methylbenzoate
PubChem CID61278814
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclopentyl 3-amino-4-methylbenzoate
SMILESCc1ccc(C(=O)OC2CCCC2)cc1N
InChIInChI=1S/C13H17NO2/c1-9-6-7-10(8-12(9)14)13(15)16-11-4-2-3-5-11/h6-8,11H,2-5,14H2,1H3
InChIKeyQQEOGEOMVAOMQH-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
CID 64773835
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cyclobutyl 3-amino-4-(dimethylamino)benzoate
CID 62383283
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
cyclopentyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309816
cyclopentyl 3,5-diamino-4-tert-butylbenzoate
CID 20514746
cyclohexyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310617
cycloheptyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310474
cycloheptyl 4-amino-3-nitrosobenzoate
CID 142061654
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-amino-4-methylbenzoate?
The IUPAC name of cyclopentyl 3-amino-4-methylbenzoate (CID 61278814) is cyclopentyl 3-amino-4-methylbenzoate.
What is the SMILES notation for cyclopentyl 3-amino-4-methylbenzoate?
The canonical SMILES for cyclopentyl 3-amino-4-methylbenzoate is Cc1ccc(C(=O)OC2CCCC2)cc1N.
What is the InChIKey of cyclopentyl 3-amino-4-methylbenzoate?
The InChIKey is QQEOGEOMVAOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-7-10(8-12(9)14)13(15)16-11-4-2-3-5-11/h6-8,11H,2-5,14H2,1H3.
What are the key properties of cyclopentyl 3-amino-4-methylbenzoate?
cyclopentyl 3-amino-4-methylbenzoate has a molecular weight of 219.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-amino-4-methylbenzoate is sourced from PubChem (CID 61278814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).