1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid

C14H19NO3 — CID 79649153

IUPAC1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(OC2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C14H19NO3/c1-9-3-4-10(2)12(7-9)18-11-5-6-14(15,8-11)13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyQQGYWYPIAYAQEC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.02
Rot. Bonds3

About 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid

1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid (PubChem CID 79649153) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid
PubChem CID79649153
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(OC2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C14H19NO3/c1-9-3-4-10(2)12(7-9)18-11-5-6-14(15,8-11)13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyQQGYWYPIAYAQEC-UHFFFAOYSA-N
XLogP2.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 79648383
methyl 1-amino-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxylate
CID 79648235
1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
1-amino-3-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 79648268
1-amino-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79648802
1-amino-3-(2-fluoro-4-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79649266
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79649114
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 45026971

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid (CID 79649153) is 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid is Cc1ccc(C)c(OC2CCC(N)(C(=O)O)C2)c1.
What is the InChIKey of 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is QQGYWYPIAYAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-3-4-10(2)12(7-9)18-11-5-6-14(15,8-11)13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid?
1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-dimethylphenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).