2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

C21H25NO4 — CID 56917100

IUPAC2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24)
InChIKeyRLOTZQHXKSQQEX-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (PubChem CID 56917100) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
PubChem CID56917100
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24)
InChIKeyRLOTZQHXKSQQEX-UHFFFAOYSA-N
XLogP2.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic 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 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (CID 56917100) is 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1Cc1ccccc1OCCc1ccccc1.
What is the InChIKey of 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The InChIKey is RLOTZQHXKSQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24).
What are the key properties of 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid has a molecular weight of 355.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56917100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).