(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid

C16H27NO4 — CID 120536045

IUPAC(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC(C(=O)O)O1
InChIInChI=1S/C16H27NO4/c1-11-9-17(10-13(21-11)15(19)20)14(18)8-12-4-6-16(2,3)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20)/t11-,13?/m1/s1
InChIKeyNBQRHKHSJKUXKZ-JTDNENJMSA-N
MW297.39 g/mol
LogP2.29
Rot. Bonds3

About (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536045) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536045
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC(C(=O)O)O1
InChIInChI=1S/C16H27NO4/c1-11-9-17(10-13(21-11)15(19)20)14(18)8-12-4-6-16(2,3)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20)/t11-,13?/m1/s1
InChIKeyNBQRHKHSJKUXKZ-JTDNENJMSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid (CID 120536045) is (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid is C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC(C(=O)O)O1.
What is the InChIKey of (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is NBQRHKHSJKUXKZ-JTDNENJMSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11-9-17(10-13(21-11)15(19)20)14(18)8-12-4-6-16(2,3)7-5-12/h11-13H,4-10H2,1-3H3,(H,19,20)/t11-,13?/m1/s1.
What are the key properties of (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).