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

C14H25NO3 — CID 66435669

IUPAC2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
SMILESCC1CCC(N2CCOC(CC(=O)O)C2)C(C)C1
InChIInChI=1S/C14H25NO3/c1-10-3-4-13(11(2)7-10)15-5-6-18-12(9-15)8-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyDOBUWKIGKCYJGM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds3

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

2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid (PubChem CID 66435669) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
PubChem CID66435669
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
SMILESCC1CCC(N2CCOC(CC(=O)O)C2)C(C)C1
InChIInChI=1S/C14H25NO3/c1-10-3-4-13(11(2)7-10)15-5-6-18-12(9-15)8-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyDOBUWKIGKCYJGM-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-(1-propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 79862286
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433739
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid (CID 66435669) is 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid is CC1CCC(N2CCOC(CC(=O)O)C2)C(C)C1.
What is the InChIKey of 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid?
The InChIKey is DOBUWKIGKCYJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-3-4-13(11(2)7-10)15-5-6-18-12(9-15)8-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid?
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 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-dimethylcyclohexyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).