4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid

C14H17NO3 — CID 65067081

IUPAC4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCc3ccccc32)CCO1
InChIInChI=1S/C14H17NO3/c16-14(17)13-9-15(7-8-18-13)12-6-5-10-3-1-2-4-11(10)12/h1-4,12-13H,5-9H2,(H,16,17)
InChIKeyGYFCYQIMBLAJJL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.46
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid

4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid (PubChem CID 65067081) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
PubChem CID65067081
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCc3ccccc32)CCO1
InChIInChI=1S/C14H17NO3/c16-14(17)13-9-15(7-8-18-13)12-6-5-10-3-1-2-4-11(10)12/h1-4,12-13H,5-9H2,(H,16,17)
InChIKeyGYFCYQIMBLAJJL-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-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-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid (CID 65067081) is 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid is O=C(O)C1CN(C2CCc3ccccc32)CCO1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid?
The InChIKey is GYFCYQIMBLAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17)13-9-15(7-8-18-13)12-6-5-10-3-1-2-4-11(10)12/h1-4,12-13H,5-9H2,(H,16,17).
What are the key properties of 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid?
4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).