2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid

C15H25NO4 — CID 21025678

IUPAC2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC1(CC(CC(=O)N2CCOCC2)C(=O)O)CCCC1
InChIInChI=1S/C15H25NO4/c1-15(4-2-3-5-15)11-12(14(18)19)10-13(17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,18,19)
InChIKeyDJKXIOLXTOEFQA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.91
Rot. Bonds5

About 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid

2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 21025678) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID21025678
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC1(CC(CC(=O)N2CCOCC2)C(=O)O)CCCC1
InChIInChI=1S/C15H25NO4/c1-15(4-2-3-5-15)11-12(14(18)19)10-13(17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,18,19)
InChIKeyDJKXIOLXTOEFQA-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid (CID 21025678) is 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid is CC1(CC(CC(=O)N2CCOCC2)C(=O)O)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is DJKXIOLXTOEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(4-2-3-5-15)11-12(14(18)19)10-13(17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid?
2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 21025678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).