2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

C16H32N2O2 — CID 79563615

IUPAC2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(15(2,3)4)18(6)11-9-13-8-7-10-16(13,17-5)14(19)20/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyKZSNHCDXLGEPFJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79563615) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79563615
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(15(2,3)4)18(6)11-9-13-8-7-10-16(13,17-5)14(19)20/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyKZSNHCDXLGEPFJ-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564430
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563722
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
1-(methylamino)-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 115942606
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571170
1-(methylamino)-2-[2-(2-methylpropylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79588230
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564710
1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79567623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79563615) is 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KZSNHCDXLGEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(15(2,3)4)18(6)11-9-13-8-7-10-16(13,17-5)14(19)20/h12-13,17H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).