cyclopentylmethyl 2-amino-6-methylbenzoate

C14H19NO2 — CID 61343221

IUPACcyclopentylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-5-4-8-12(15)13(10)14(16)17-9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,15H2,1H3
InChIKeyUDSPWFFWCWTIES-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.92
Rot. Bonds3

About cyclopentylmethyl 2-amino-6-methylbenzoate

cyclopentylmethyl 2-amino-6-methylbenzoate (PubChem CID 61343221) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-6-methylbenzoate
PubChem CID61343221
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclopentylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-5-4-8-12(15)13(10)14(16)17-9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,15H2,1H3
InChIKeyUDSPWFFWCWTIES-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 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 ≤ 52.92
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

cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
CID 103136986
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-amino-6-methylbenzoate?
The IUPAC name of cyclopentylmethyl 2-amino-6-methylbenzoate (CID 61343221) is cyclopentylmethyl 2-amino-6-methylbenzoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-6-methylbenzoate?
The canonical SMILES for cyclopentylmethyl 2-amino-6-methylbenzoate is Cc1cccc(N)c1C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-amino-6-methylbenzoate?
The InChIKey is UDSPWFFWCWTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-4-8-12(15)13(10)14(16)17-9-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,15H2,1H3.
What are the key properties of cyclopentylmethyl 2-amino-6-methylbenzoate?
cyclopentylmethyl 2-amino-6-methylbenzoate has a molecular weight of 233.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61343221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).