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

C17H31NO3 — CID 65094530

IUPAC2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
SMILESCC(C)(C)C1CCCC(CC(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-5-4-7-17(8-6-14,13-15(19)20)18-9-11-21-12-10-18/h14H,4-13H2,1-3H3,(H,19,20)
InChIKeyVPQOQEQBZUJUJN-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.16
Rot. Bonds3

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

2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid (PubChem CID 65094530) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
PubChem CID65094530
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
SMILESCC(C)(C)C1CCCC(CC(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-5-4-7-17(8-6-14,13-15(19)20)18-9-11-21-12-10-18/h14H,4-13H2,1-3H3,(H,19,20)
InChIKeyVPQOQEQBZUJUJN-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
CID 79694488
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
CID 64745099
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
CID 64527604
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[4-tert-butyl-1-(dimethylamino)cycloheptyl]acetic acid
CID 65094580
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64526394
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid?
The IUPAC name of 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid (CID 65094530) is 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid.
What is the SMILES notation for 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid?
The canonical SMILES for 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid is CC(C)(C)C1CCCC(CC(=O)O)(N2CCOCC2)CC1.
What is the InChIKey of 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid?
The InChIKey is VPQOQEQBZUJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)14-5-4-7-17(8-6-14,13-15(19)20)18-9-11-21-12-10-18/h14H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid?
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid has a molecular weight of 297.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid is sourced from PubChem (CID 65094530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).