4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid

C15H27NO3 — CID 103961433

IUPAC4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
SMILESCC1(C)CC(N2CCOCC2C(=O)O)CC(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-14(2)7-11(8-15(3,4)10-14)16-5-6-19-9-12(16)13(17)18/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyGTNWMYHIMLSCDI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds2

About 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid

4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid (PubChem CID 103961433) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
PubChem CID103961433
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
SMILESCC1(C)CC(N2CCOCC2C(=O)O)CC(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-14(2)7-11(8-15(3,4)10-14)16-5-6-19-9-12(16)13(17)18/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyGTNWMYHIMLSCDI-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 102786262
(3S)-4-chloromorpholine-3-carboxylic acid
CID 121451605
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
4-(2-bicyclo[3.1.0]hexanyl)morpholine-3-carboxylic acid
CID 83835004
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
4-(disulfanyl)morpholine-3-carboxylic acid
CID 174164325
N-ethyl-4-piperidin-4-ylmorpholine-3-carboxamide
CID 83100378
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
N-cyclopropyl-4-[4-(methylamino)cyclohexyl]morpholine-3-carboxamide
CID 114763535

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid (CID 103961433) is 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid is CC1(C)CC(N2CCOCC2C(=O)O)CC(C)(C)C1.
What is the InChIKey of 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid?
The InChIKey is GTNWMYHIMLSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)7-11(8-15(3,4)10-14)16-5-6-19-9-12(16)13(17)18/h11-12H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid?
4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 103961433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).