benzyl 1-(aminomethyl)cyclopentane-1-carboxylate

C14H19NO2 — CID 115433846

IUPACbenzyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO2/c15-11-14(8-4-5-9-14)13(16)17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeySCAPFUSRSWTALA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds4

About benzyl 1-(aminomethyl)cyclopentane-1-carboxylate

benzyl 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 115433846) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID115433846
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C14H19NO2/c15-11-14(8-4-5-9-14)13(16)17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeySCAPFUSRSWTALA-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-(aminomethyl)cyclopentane-1-carboxylate (CID 115433846) is benzyl 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-(aminomethyl)cyclopentane-1-carboxylate is NCC1(C(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of benzyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is SCAPFUSRSWTALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-11-14(8-4-5-9-14)13(16)17-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2.
What are the key properties of benzyl 1-(aminomethyl)cyclopentane-1-carboxylate?
benzyl 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 115433846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).