3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid

C16H23NO4 — CID 79648163

IUPAC3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C16H23NO4/c1-3-17-16(15(18)19)9-8-14(11-16)21-13-7-5-6-12(10-13)20-4-2/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeyIDZKTAJBSRMQAF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.45
Rot. Bonds7

About 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid

3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79648163) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79648163
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2cccc(OCC)c2)C1
InChIInChI=1S/C16H23NO4/c1-3-17-16(15(18)19)9-8-14(11-16)21-13-7-5-6-12(10-13)20-4-2/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeyIDZKTAJBSRMQAF-UHFFFAOYSA-N
XLogP2.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
3-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79648140
3-(3-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79648303
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
CID 79640484
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648842
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79648163) is 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(Oc2cccc(OCC)c2)C1.
What is the InChIKey of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is IDZKTAJBSRMQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-17-16(15(18)19)9-8-14(11-16)21-13-7-5-6-12(10-13)20-4-2/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).