2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

C17H32N2O2 — CID 104691569

IUPAC2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC1CCCCCN1CCC1CCCC1(NC)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-15-9-5-4-6-12-19(15)13-10-14-8-7-11-17(14,18-2)16(20)21/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyNGRMAPRBVWSXBQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 104691569) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID104691569
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC1CCCCCN1CCC1CCCC1(NC)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-15-9-5-4-6-12-19(15)13-10-14-8-7-11-17(14,18-2)16(20)21/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyNGRMAPRBVWSXBQ-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564865
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564394
ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 115561490
2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564582
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690
1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571998
2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 104691569) is 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is CCC1CCCCCN1CCC1CCCC1(NC)C(=O)O.
What is the InChIKey of 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NGRMAPRBVWSXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-15-9-5-4-6-12-19(15)13-10-14-8-7-11-17(14,18-2)16(20)21/h14-15,18H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104691569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).