3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid

C15H21NO3 — CID 117009392

IUPAC3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
SMILESCc1ccc(CN2CCOCC2CCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)10-16-8-9-19-11-14(16)6-7-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyZOQARUBEJJRCRR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds5

About 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid

3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid (PubChem CID 117009392) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
PubChem CID117009392
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
SMILESCc1ccc(CN2CCOCC2CCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)10-16-8-9-19-11-14(16)6-7-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18)
InChIKeyZOQARUBEJJRCRR-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
3-[4-(2-methoxyethyl)morpholin-3-yl]propanoic acid
CID 117009385
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid (CID 117009392) is 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid is Cc1ccc(CN2CCOCC2CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid?
The InChIKey is ZOQARUBEJJRCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)10-16-8-9-19-11-14(16)6-7-15(17)18/h2-5,14H,6-11H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid?
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).