2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid

C14H19NO3 — CID 66433866

IUPAC2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)9-15-6-7-18-13(10-15)8-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyWPUWHAMSTHPXJM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid

2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66433866) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
PubChem CID66433866
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CN2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)9-15-6-7-18-13(10-15)8-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyWPUWHAMSTHPXJM-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248281
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid (CID 66433866) is 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid is Cc1ccc(CN2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is WPUWHAMSTHPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)9-15-6-7-18-13(10-15)8-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).