1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid

C14H18FNO3 — CID 79649075

IUPAC1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-14(13(17)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyMQBUBNIVNBNYHM-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.19
Rot. Bonds5

About 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid

1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid (PubChem CID 79649075) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
PubChem CID79649075
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-14(13(17)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyMQBUBNIVNBNYHM-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-(3-fluoro-phenoxymethyl)-pyrrolidine-2-carboxylic acid
CID 10376960
(2S,4S)-4-[(2,3-difluorophenoxy)methyl]pyrrolidine-2-carboxylic acid
CID 9992608
(2S,4S)-4-[(2,5-difluorophenoxy)methyl]pyrrolidine-2-carboxylic acid
CID 10332669
3-(Aminomethyl)-5-(2-fluorophenoxy)hexanoic acid
CID 21888247
3-(Aminomethyl)-5-(3-fluorophenoxy)hexanoic acid
CID 21888345
3-(Aminomethyl)-5-(4-fluorophenoxy)hexanoic acid
CID 21888420
(3S,5S)-3-(aminomethyl)-5-(3-fluorophenoxy)hexanoic acid
CID 53240594
(3S,5S)-3-(aminomethyl)-5-(4-fluorophenoxy)hexanoic acid
CID 57203638
(3S,5S)-3-(aminomethyl)-5-(2-fluorophenoxy)hexanoic acid
CID 57249613
4-[(3-Fluorophenoxy)methyl]pyrrolidine-2-carboxylic acid
CID 69867544
4-[(2,3-Difluorophenoxy)methyl]pyrrolidine-2-carboxylic acid
CID 69868717
4-[(2,5-Difluorophenoxy)methyl]pyrrolidine-2-carboxylic acid
CID 69872426

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid (CID 79649075) is 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(Oc2ccccc2F)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is MQBUBNIVNBNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-16-14(13(17)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).