3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79655710

IUPAC3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16-15(13(18)19)6-5-12(10-15)17-8-9-20-14(2,3)11-17/h12,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyUJICEFOURCUGNM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds5

About 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79655710) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79655710
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16-15(13(18)19)6-5-12(10-15)17-8-9-20-14(2,3)11-17/h12,16H,4-11H2,1-3H3,(H,18,19)
InChIKeyUJICEFOURCUGNM-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79645417
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 103538142
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 82753519
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79651615
methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641601
[3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656046
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636456
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79655710) is 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(N2CCOC(C)(C)C2)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UJICEFOURCUGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-16-15(13(18)19)6-5-12(10-15)17-8-9-20-14(2,3)11-17/h12,16H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79655710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).