[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate

C14H19NO3 — CID 79337670

IUPAC[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate
SMILESNCC1CCCC1COC(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c15-9-11-5-4-6-12(11)10-17-14(16)18-13-7-2-1-3-8-13/h1-3,7-8,11-12H,4-6,9-10,15H2
InChIKeyFBQXATPWUCCBLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.58
Rot. Bonds4

About [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate

[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate (PubChem CID 79337670) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate
PubChem CID79337670
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate
SMILESNCC1CCCC1COC(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c15-9-11-5-4-6-12(11)10-17-14(16)18-13-7-2-1-3-8-13/h1-3,7-8,11-12H,4-6,9-10,15H2
InChIKeyFBQXATPWUCCBLC-UHFFFAOYSA-N
XLogP2.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate?
The IUPAC name of [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate (CID 79337670) is [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate is NCC1CCCC1COC(=O)Oc1ccccc1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate?
The InChIKey is FBQXATPWUCCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-9-11-5-4-6-12(11)10-17-14(16)18-13-7-2-1-3-8-13/h1-3,7-8,11-12H,4-6,9-10,15H2.
What are the key properties of [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate?
[2-(aminomethyl)cyclopentyl]methyl phenyl carbonate has a molecular weight of 249.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]methyl phenyl carbonate is sourced from PubChem (CID 79337670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).