4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid

C16H29NO3 — CID 43803300

IUPAC4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C16H29NO3/c1-4-15(2,3)13-5-7-16(8-6-13,14(18)19)17-9-11-20-12-10-17/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyPJXPRQYOFMWEEM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid

4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 43803300) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID43803300
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C16H29NO3/c1-4-15(2,3)13-5-7-16(8-6-13,14(18)19)17-9-11-20-12-10-17/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyPJXPRQYOFMWEEM-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 43803300) is 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid is CCC(C)(C)C1CCC(C(=O)O)(N2CCOCC2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is PJXPRQYOFMWEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-15(2,3)13-5-7-16(8-6-13,14(18)19)17-9-11-20-12-10-17/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).