2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid

C15H27NO3 — CID 81313958

IUPAC2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid
SMILESCC1CC(C)(C)CCC1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H27NO3/c1-11-9-15(2,3)5-4-13(11)16-6-7-19-10-12(16)8-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyYXQDTEAADKCWQC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds3

About 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid

2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid (PubChem CID 81313958) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid
PubChem CID81313958
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid
SMILESCC1CC(C)(C)CCC1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H27NO3/c1-11-9-15(2,3)5-4-13(11)16-6-7-19-10-12(16)8-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyYXQDTEAADKCWQC-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid
CID 106664282
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
CID 116522763
2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
2-(3-ethylmorpholin-4-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067425
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
2-[1-(4,4-dimethylcyclohexyl)piperidin-2-yl]acetic acid
CID 65063549
2-[4-(3,3-dimethylcyclopentyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80698925
3-amino-1-(2,4,4-trimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321483
tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249543
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid (CID 81313958) is 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid is CC1CC(C)(C)CCC1N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid?
The InChIKey is YXQDTEAADKCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-9-15(2,3)5-4-13(11)16-6-7-19-10-12(16)8-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid?
2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 81313958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).