3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid

C15H21NO3 — CID 79648693

IUPAC3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCc1ccccc1OC1CCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-3-11-6-4-5-7-13(11)19-12-8-9-15(10-12,16-2)14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyJTRMXARUJCVXHG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid

3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79648693) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79648693
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCc1ccccc1OC1CCC(NC)(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-3-11-6-4-5-7-13(11)19-12-8-9-15(10-12,16-2)14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyJTRMXARUJCVXHG-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647924
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79649081
1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
CID 79649110
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
CID 79648707

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79648693) is 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid is CCc1ccccc1OC1CCC(NC)(C(=O)O)C1.
What is the InChIKey of 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is JTRMXARUJCVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-11-6-4-5-7-13(11)19-12-8-9-15(10-12,16-2)14(17)18/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).