1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 79572494

IUPAC1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN1CC2CCC(C1)O2
InChIInChI=1S/C16H28N2O3/c1-2-17-16(15(19)20)8-3-4-12(16)7-9-18-10-13-5-6-14(11-18)21-13/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyFKMUJXMGVPQZRB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.47
Rot. Bonds6

About 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79572494) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79572494
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN1CC2CCC(C1)O2
InChIInChI=1S/C16H28N2O3/c1-2-17-16(15(19)20)8-3-4-12(16)7-9-18-10-13-5-6-14(11-18)21-13/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyFKMUJXMGVPQZRB-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
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-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 79581903
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79571861
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79572494) is 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCN1CC2CCC(C1)O2.
What is the InChIKey of 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FKMUJXMGVPQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-17-16(15(19)20)8-3-4-12(16)7-9-18-10-13-5-6-14(11-18)21-13/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79572494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).