ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate

C16H23NO2 — CID 152760490

IUPACethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCCc2ccccc2)CCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-15(18)16(11-6-7-12-16)17-13-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyMGHXGWOALHZYBD-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.69
Rot. Bonds6

About ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate

ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate (PubChem CID 152760490) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
PubChem CID152760490
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCCc2ccccc2)CCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-15(18)16(11-6-7-12-16)17-13-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyMGHXGWOALHZYBD-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(2-phenylethylamino)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

ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
CID 114999787
ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
CID 13282852
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
ethyl 1-[(2,2-diphenylacetyl)amino]cyclohexane-1-carboxylate
CID 60556789
1-(2-phenylethylamino)cyclopentan-1-ol
CID 67750997
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate (CID 152760490) is ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NCCc2ccccc2)CCCC1.
What is the InChIKey of ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate?
The InChIKey is MGHXGWOALHZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-15(18)16(11-6-7-12-16)17-13-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3.
What are the key properties of ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate?
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 152760490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).