3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C16H23NO4 — CID 79647924

IUPAC3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1OC1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C16H23NO4/c1-11(2)17-16(15(18)19)9-8-12(10-16)21-14-7-5-4-6-13(14)20-3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyQEZAESAEBKFGTH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.45
Rot. Bonds6

About 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79647924) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79647924
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1OC1CCC(NC(C)C)(C(=O)O)C1
InChIInChI=1S/C16H23NO4/c1-11(2)17-16(15(18)19)9-8-12(10-16)21-14-7-5-4-6-13(14)20-3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyQEZAESAEBKFGTH-UHFFFAOYSA-N
XLogP2.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79647924) is 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is COc1ccccc1OC1CCC(NC(C)C)(C(=O)O)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QEZAESAEBKFGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)17-16(15(18)19)9-8-12(10-16)21-14-7-5-4-6-13(14)20-3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79647924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).