1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO4 — CID 650861

IUPAC1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H23NO4/c1-13(2)10(4-5-14(13,3)12(17)18)11(16)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyJFHHEQAIXQSHBU-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.37
Rot. Bonds2

About 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 650861) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID650861
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H23NO4/c1-13(2)10(4-5-14(13,3)12(17)18)11(16)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyJFHHEQAIXQSHBU-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-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 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid (CID 650861) is 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is JFHHEQAIXQSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2)10(4-5-14(13,3)12(17)18)11(16)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 650861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).