1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid

C14H19NO3 — CID 82131344

IUPAC1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(OC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-15(2)11-6-5-7-12(10-11)18-14(13(16)17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyDOPJZVVKXGFROG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds4

About 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid

1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid (PubChem CID 82131344) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
PubChem CID82131344
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(OC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-15(2)11-6-5-7-12(10-11)18-14(13(16)17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyDOPJZVVKXGFROG-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 79648268
3-(3-fluorophenoxy)piperidine-3-carboxylic acid
CID 84701154
[3-(dimethylamino)phenyl] carbamate
CID 23622089
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
CID 82133597
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
3-(3-methylphenoxy)thiolane-3-carboxylic acid
CID 82236589
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
CID 82133114
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid (CID 82131344) is 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid is CN(C)c1cccc(OC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The InChIKey is DOPJZVVKXGFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(2)11-6-5-7-12(10-11)18-14(13(16)17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82131344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).