2-(3-morpholin-4-ylphenyl)acetic acid

C12H15NO3 — CID 18403495

IUPAC2-(3-morpholin-4-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C12H15NO3/c14-12(15)9-10-2-1-3-11(8-10)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15)
InChIKeyPHYABWXDVNSHNW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.15
Rot. Bonds3

About 2-(3-morpholin-4-ylphenyl)acetic acid

2-(3-morpholin-4-ylphenyl)acetic acid (PubChem CID 18403495) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylphenyl)acetic acid
PubChem CID18403495
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-morpholin-4-ylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C12H15NO3/c14-12(15)9-10-2-1-3-11(8-10)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15)
InChIKeyPHYABWXDVNSHNW-UHFFFAOYSA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylphenyl)acetic acid?
The IUPAC name of 2-(3-morpholin-4-ylphenyl)acetic acid (CID 18403495) is 2-(3-morpholin-4-ylphenyl)acetic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylphenyl)acetic acid?
The canonical SMILES for 2-(3-morpholin-4-ylphenyl)acetic acid is O=C(O)Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of 2-(3-morpholin-4-ylphenyl)acetic acid?
The InChIKey is PHYABWXDVNSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)9-10-2-1-3-11(8-10)13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15).
What are the key properties of 2-(3-morpholin-4-ylphenyl)acetic acid?
2-(3-morpholin-4-ylphenyl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylphenyl)acetic acid is sourced from PubChem (CID 18403495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).