2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79576444

IUPAC2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16-15(14(18)19)6-3-4-13(15)5-7-17-8-10-20-11-9-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVMZAFWWLFHARSC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.33
Rot. Bonds6

About 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79576444) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79576444
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCCC1CCN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16-15(14(18)19)6-3-4-13(15)5-7-17-8-10-20-11-9-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyVMZAFWWLFHARSC-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564582
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
[1-(cyclopropylamino)-2-(2-morpholin-4-ylethyl)cyclopentyl]methanol
CID 79571575
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79588108
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79576444) is 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCCC1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VMZAFWWLFHARSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)16-15(14(18)19)6-3-4-13(15)5-7-17-8-10-20-11-9-17/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79576444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).