propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate

C16H23NO3 — CID 62086478

IUPACpropan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate
SMILESCC(C)OC(=O)c1c(N)cccc1COC1CCCC1
InChIInChI=1S/C16H23NO3/c1-11(2)20-16(18)15-12(6-5-9-14(15)17)10-19-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3
InChIKeyNCVINDWNWZEJFX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.29
Rot. Bonds5

About propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate

propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate (PubChem CID 62086478) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate
PubChem CID62086478
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namepropan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate
SMILESCC(C)OC(=O)c1c(N)cccc1COC1CCCC1
InChIInChI=1S/C16H23NO3/c1-11(2)20-16(18)15-12(6-5-9-14(15)17)10-19-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3
InChIKeyNCVINDWNWZEJFX-UHFFFAOYSA-N
XLogP3.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.29
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

propan-2-yl 2-amino-6-(2-ethoxy-2-oxoethyl)benzoate
CID 64695545
2-amino-6-(cyclopentyloxymethyl)benzonitrile
CID 82013530
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
methyl 2-amino-6-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoate
CID 103505252
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-amino-6-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzoic acid
CID 104825404
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
CID 81413886
2-(cyclopentyloxymethyl)-3-fluoroaniline
CID 63331594

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate?
The IUPAC name of propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate (CID 62086478) is propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate.
What is the SMILES notation for propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate?
The canonical SMILES for propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate is CC(C)OC(=O)c1c(N)cccc1COC1CCCC1.
What is the InChIKey of propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate?
The InChIKey is NCVINDWNWZEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)20-16(18)15-12(6-5-9-14(15)17)10-19-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate?
propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate has a molecular weight of 277.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate is sourced from PubChem (CID 62086478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).