ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate

C17H25NO2 — CID 21330521

IUPACethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1(CCCN)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)15-10-6-11-17(15,12-7-13-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3
InChIKeyPCYHBIDGZYTETM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.03
Rot. Bonds6

About ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate

ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate (PubChem CID 21330521) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
PubChem CID21330521
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1(CCCN)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)15-10-6-11-17(15,12-7-13-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3
InChIKeyPCYHBIDGZYTETM-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
CID 102001590
ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
CID 568159
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one
CID 102001586
ethyl 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 10967911
ethyl (1S,6R,8S)-8-phenyl-7-oxabicyclo[4.2.0]octane-8-carboxylate
CID 102068340
cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400
cis-3-O-ethyl 1-O-phenyl (1R,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 7054072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate (CID 21330521) is ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate is CCOC(=O)C1CCCC1(CCCN)c1ccccc1.
What is the InChIKey of ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate?
The InChIKey is PCYHBIDGZYTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16(19)15-10-6-11-17(15,12-7-13-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3.
What are the key properties of ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate?
ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 21330521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).