2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid

C14H25NO3 — CID 63069495

IUPAC2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCC1CN(C2CCCCCC2C(=O)O)C(C)CO1
InChIInChI=1S/C14H25NO3/c1-10-9-18-11(2)8-15(10)13-7-5-3-4-6-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyWSFXDDPVPHESJJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid

2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (PubChem CID 63069495) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
PubChem CID63069495
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCC1CN(C2CCCCCC2C(=O)O)C(C)CO1
InChIInChI=1S/C14H25NO3/c1-10-9-18-11(2)8-15(10)13-7-5-3-4-6-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyWSFXDDPVPHESJJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997136
2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997359
6-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylcyclohexan-1-ol
CID 79834194
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102944408
2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
CID 63075043
2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 102746280
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (CID 63069495) is 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is CC1CN(C2CCCCCC2C(=O)O)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The InChIKey is WSFXDDPVPHESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-9-18-11(2)8-15(10)13-7-5-3-4-6-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63069495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).