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

C14H19NO3 — CID 117009405

IUPAC3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
SMILESCc1ccc(N2CCOCC2CCC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)15-8-9-18-10-13(15)6-7-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyAPQRYHJUKOEAJA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds4

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

3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid (PubChem CID 117009405) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
PubChem CID117009405
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
SMILESCc1ccc(N2CCOCC2CCC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)15-8-9-18-10-13(15)6-7-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17)
InChIKeyAPQRYHJUKOEAJA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
3-ethyl-4-phenylmorpholine
CID 154695616
(4-phenylmorpholin-3-yl)methanol
CID 91802000
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid (CID 117009405) is 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid is Cc1ccc(N2CCOCC2CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid?
The InChIKey is APQRYHJUKOEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-2-4-12(5-3-11)15-8-9-18-10-13(15)6-7-14(16)17/h2-5,13H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid?
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).