2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid

C14H25NO3 — CID 64745099

IUPAC2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)(N2CCOCC2)CC1C
InChIInChI=1S/C14H25NO3/c1-11-3-4-14(9-12(11)2,10-13(16)17)15-5-7-18-8-6-15/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyAKQVOAYZWVRMJH-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds3

About 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid

2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid (PubChem CID 64745099) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
PubChem CID64745099
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)(N2CCOCC2)CC1C
InChIInChI=1S/C14H25NO3/c1-11-3-4-14(9-12(11)2,10-13(16)17)15-5-7-18-8-6-15/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyAKQVOAYZWVRMJH-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid (CID 64745099) is 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid is CC1CCC(CC(=O)O)(N2CCOCC2)CC1C.
What is the InChIKey of 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid?
The InChIKey is AKQVOAYZWVRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-3-4-14(9-12(11)2,10-13(16)17)15-5-7-18-8-6-15/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid?
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)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-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid is sourced from PubChem (CID 64745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).