2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

C17H34N2O2 — CID 79566081

IUPAC2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-6-11-18-17(16(20)21)10-7-8-15(17)9-12-19(5)14(4)13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyKJLRFLTUHFUZFL-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.98
Rot. Bonds9

About 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79566081) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79566081
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-6-11-18-17(16(20)21)10-7-8-15(17)9-12-19(5)14(4)13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyKJLRFLTUHFUZFL-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79566294
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
2-[2-[butyl(ethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79576826
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79565480
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
2-[2-(2-hydroxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587670
2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563615
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79564978
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564430
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79566081) is 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC1CCN(C)C(C)C(C)C.
What is the InChIKey of 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KJLRFLTUHFUZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-11-18-17(16(20)21)10-7-8-15(17)9-12-19(5)14(4)13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 298.47 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79566081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).