2-(1-morpholin-4-ylcycloheptyl)acetic acid

C13H23NO3 — CID 64527342

IUPAC2-(1-morpholin-4-ylcycloheptyl)acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C13H23NO3/c15-12(16)11-13(5-3-1-2-4-6-13)14-7-9-17-10-8-14/h1-11H2,(H,15,16)
InChIKeyBXRJVAXOFSNSNJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.89
Rot. Bonds3

About 2-(1-morpholin-4-ylcycloheptyl)acetic acid

2-(1-morpholin-4-ylcycloheptyl)acetic acid (PubChem CID 64527342) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylcycloheptyl)acetic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-ylcycloheptyl)acetic acid
PubChem CID64527342
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(1-morpholin-4-ylcycloheptyl)acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C13H23NO3/c15-12(16)11-13(5-3-1-2-4-6-13)14-7-9-17-10-8-14/h1-11H2,(H,15,16)
InChIKeyBXRJVAXOFSNSNJ-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
(2R)-2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119369700
2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119348520
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
CID 64745099
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 154741387
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylcycloheptyl)acetic acid?
The IUPAC name of 2-(1-morpholin-4-ylcycloheptyl)acetic acid (CID 64527342) is 2-(1-morpholin-4-ylcycloheptyl)acetic acid.
What is the SMILES notation for 2-(1-morpholin-4-ylcycloheptyl)acetic acid?
The canonical SMILES for 2-(1-morpholin-4-ylcycloheptyl)acetic acid is O=C(O)CC1(N2CCOCC2)CCCCCC1.
What is the InChIKey of 2-(1-morpholin-4-ylcycloheptyl)acetic acid?
The InChIKey is BXRJVAXOFSNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(16)11-13(5-3-1-2-4-6-13)14-7-9-17-10-8-14/h1-11H2,(H,15,16).
What are the key properties of 2-(1-morpholin-4-ylcycloheptyl)acetic acid?
2-(1-morpholin-4-ylcycloheptyl)acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylcycloheptyl)acetic acid is sourced from PubChem (CID 64527342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).