cyclopentylmethyl 2-amino-6-chlorobenzoate

C13H16ClNO2 — CID 63660959

IUPACcyclopentylmethyl 2-amino-6-chlorobenzoate
SMILESNc1cccc(Cl)c1C(=O)OCC1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(15)12(10)13(16)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2
InChIKeyZFAZUHNUTBMNHE-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.27
Rot. Bonds3

About cyclopentylmethyl 2-amino-6-chlorobenzoate

cyclopentylmethyl 2-amino-6-chlorobenzoate (PubChem CID 63660959) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-6-chlorobenzoate
PubChem CID63660959
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namecyclopentylmethyl 2-amino-6-chlorobenzoate
SMILESNc1cccc(Cl)c1C(=O)OCC1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(15)12(10)13(16)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2
InChIKeyZFAZUHNUTBMNHE-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.27
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

cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
(5,5-dimethyloxolan-2-yl)methyl 2-amino-6-chlorobenzoate
CID 116523259
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
2,2,2-trifluoroethyl 2-amino-6-chlorobenzoate
CID 63661327
(3-amino-3-oxopropyl) 2-amino-6-chlorobenzoate
CID 63662731
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
(4-cyanophenyl)methyl 2-amino-6-chlorobenzoate
CID 63663640
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-amino-6-chlorobenzoate?
The IUPAC name of cyclopentylmethyl 2-amino-6-chlorobenzoate (CID 63660959) is cyclopentylmethyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-6-chlorobenzoate?
The canonical SMILES for cyclopentylmethyl 2-amino-6-chlorobenzoate is Nc1cccc(Cl)c1C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-amino-6-chlorobenzoate?
The InChIKey is ZFAZUHNUTBMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-6-3-7-11(15)12(10)13(16)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2.
What are the key properties of cyclopentylmethyl 2-amino-6-chlorobenzoate?
cyclopentylmethyl 2-amino-6-chlorobenzoate has a molecular weight of 253.73 g/mol, XLogP of 3.27, 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-chlorobenzoate is sourced from PubChem (CID 63660959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).