(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

C14H18BrNO2 — CID 82824967

IUPAC(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccc(Br)cc2)CCCC1N
InChIInChI=1S/C14H18BrNO2/c1-14(8-2-3-12(14)16)13(17)18-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3
InChIKeyGLLZMBCFDRGCJG-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds3

About (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82824967) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82824967
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccc(Br)cc2)CCCC1N
InChIInChI=1S/C14H18BrNO2/c1-14(8-2-3-12(14)16)13(17)18-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3
InChIKeyGLLZMBCFDRGCJG-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (CID 82824967) is (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is CC1(C(=O)OCc2ccc(Br)cc2)CCCC1N.
What is the InChIKey of (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is GLLZMBCFDRGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(8-2-3-12(14)16)13(17)18-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3.
What are the key properties of (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 312.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82824967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).