2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid

C15H15NO4 — CID 66433018

IUPAC2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C#Cc2ccccc2)CCO1
InChIInChI=1S/C15H15NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,8-11H2,(H,18,19)
InChIKeyDSXIXWIXQUZNHM-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.74
Rot. Bonds2

About 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid

2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid (PubChem CID 66433018) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
PubChem CID66433018
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C#Cc2ccccc2)CCO1
InChIInChI=1S/C15H15NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,8-11H2,(H,18,19)
InChIKeyDSXIXWIXQUZNHM-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[1-(3-phenylprop-2-ynoyl)piperidin-3-yl]acetic acid
CID 62690231
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid (CID 66433018) is 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C#Cc2ccccc2)CCO1.
What is the InChIKey of 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid?
The InChIKey is DSXIXWIXQUZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,8-11H2,(H,18,19).
What are the key properties of 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid?
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).