2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid

C16H29NO3 — CID 102746280

IUPAC2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCC1(C)CN(C2CCCCCC2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C16H29NO3/c1-15(2)10-17(11-16(3,4)20-15)13-9-7-5-6-8-12(13)14(18)19/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyTWXCXWGRLPVPRE-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.91
Rot. Bonds2

About 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid

2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (PubChem CID 102746280) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
PubChem CID102746280
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCC1(C)CN(C2CCCCCC2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C16H29NO3/c1-15(2)10-17(11-16(3,4)20-15)13-9-7-5-6-8-12(13)14(18)19/h12-13H,5-11H2,1-4H3,(H,18,19)
InChIKeyTWXCXWGRLPVPRE-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391
2-(2-azaspiro[3.4]octan-2-yl)cyclopentane-1-carboxylic acid
CID 79695007
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
CID 79694800
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
CID 55146891
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (CID 102746280) is 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is CC1(C)CN(C2CCCCCC2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The InChIKey is TWXCXWGRLPVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2)10-17(11-16(3,4)20-15)13-9-7-5-6-8-12(13)14(18)19/h12-13H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 102746280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).