2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 79577294

IUPAC2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCN1CCOC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-8-17-16(15(19)20)7-4-5-14(16)6-9-18-10-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyWMXZTUBMXJHDLC-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds7

About 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79577294) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79577294
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC1CCN1CCOC(C)C1
InChIInChI=1S/C16H30N2O3/c1-3-8-17-16(15(19)20)7-4-5-14(16)6-9-18-10-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyWMXZTUBMXJHDLC-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79577294) is 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC1CCN1CCOC(C)C1.
What is the InChIKey of 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WMXZTUBMXJHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-8-17-16(15(19)20)7-4-5-14(16)6-9-18-10-11-21-13(2)12-18/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid?
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79577294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).