4-(3-methylphenyl)morpholine-2-carboxylic acid

C12H15NO3 — CID 73438961

IUPAC4-(3-methylphenyl)morpholine-2-carboxylic acid
SMILESCc1cccc(N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)13-5-6-16-11(8-13)12(14)15/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)
InChIKeyDTXZBRNWYWLKJY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.28
Rot. Bonds2

About 4-(3-methylphenyl)morpholine-2-carboxylic acid

4-(3-methylphenyl)morpholine-2-carboxylic acid (PubChem CID 73438961) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-methylphenyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylphenyl)morpholine-2-carboxylic acid
PubChem CID73438961
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(3-methylphenyl)morpholine-2-carboxylic acid
SMILESCc1cccc(N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)13-5-6-16-11(8-13)12(14)15/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)
InChIKeyDTXZBRNWYWLKJY-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-methylphenyl)morpholine-2-carboxylic acid (CID 73438961) is 4-(3-methylphenyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methylphenyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-methylphenyl)morpholine-2-carboxylic acid is Cc1cccc(N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-(3-methylphenyl)morpholine-2-carboxylic acid?
The InChIKey is DTXZBRNWYWLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)13-5-6-16-11(8-13)12(14)15/h2-4,7,11H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 4-(3-methylphenyl)morpholine-2-carboxylic acid?
4-(3-methylphenyl)morpholine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 73438961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).