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

C14H20N2O3 — CID 79648268

IUPAC1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(OC2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(17)18/h3-5,8,12H,6-7,9,15H2,1-2H3,(H,17,18)
InChIKeyTVKPKTUGLUKIDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds4

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

1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid (PubChem CID 79648268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
PubChem CID79648268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(OC2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(17)18/h3-5,8,12H,6-7,9,15H2,1-2H3,(H,17,18)
InChIKeyTVKPKTUGLUKIDO-UHFFFAOYSA-N
XLogP1.47
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
1-amino-3-(3-tert-butylphenoxy)cyclopentane-1-carboxamide
CID 79649390
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid
CID 79649153
1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 82131344
1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
1-amino-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79648802
1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 104832318
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
CID 79637537
1-amino-3-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79649166

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid (CID 79648268) is 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid is CN(C)c1cccc(OC2CCC(N)(C(=O)O)C2)c1.
What is the InChIKey of 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
The InChIKey is TVKPKTUGLUKIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)10-4-3-5-11(8-10)19-12-6-7-14(15,9-12)13(17)18/h3-5,8,12H,6-7,9,15H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid?
1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).