1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid

C15H21NO3 — CID 79587207

IUPAC1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOc1ccccc1
InChIInChI=1S/C15H21NO3/c1-16-15(14(17)18)10-5-6-12(15)9-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyPMNGHAWALMGCBD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds6

About 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid

1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid (PubChem CID 79587207) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid
PubChem CID79587207
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOc1ccccc1
InChIInChI=1S/C15H21NO3/c1-16-15(14(17)18)10-5-6-12(15)9-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyPMNGHAWALMGCBD-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dimethylphenoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587310
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
1-(methylamino)-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581156
[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
CID 79581217
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
2-[2-(2,5-difluorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587585
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573813
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79582454

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid (CID 79587207) is 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCOc1ccccc1.
What is the InChIKey of 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid?
The InChIKey is PMNGHAWALMGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-15(14(17)18)10-5-6-12(15)9-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid?
1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79587207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).