ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate

C16H22N2O2 — CID 79650764

IUPACethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C16H22N2O2/c1-2-20-15(19)16(17)8-7-14(9-16)18-10-12-5-3-4-6-13(12)11-18/h3-6,14H,2,7-11,17H2,1H3
InChIKeyQJZLLPUQGXYWMK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.82
Rot. Bonds3

About ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate (PubChem CID 79650764) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
PubChem CID79650764
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C16H22N2O2/c1-2-20-15(19)16(17)8-7-14(9-16)18-10-12-5-3-4-6-13(12)11-18/h3-6,14H,2,7-11,17H2,1H3
InChIKeyQJZLLPUQGXYWMK-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-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

Related Compounds

methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxamide
CID 79650905
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
CID 79645933
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847
ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 102966438
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79649099
ethyl 1-amino-3-[(2-chlorophenyl)methylsulfanyl]cyclopentane-1-carboxylate
CID 103289711

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate (CID 79650764) is ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The InChIKey is QJZLLPUQGXYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-15(19)16(17)8-7-14(9-16)18-10-12-5-3-4-6-13(12)11-18/h3-6,14H,2,7-11,17H2,1H3.
What are the key properties of ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).