4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid

C16H17NO5 — CID 119239465

IUPAC4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2cc3ccccc3o2)CCO1
InChIInChI=1S/C16H17NO5/c18-15(17-7-8-21-14(10-17)16(19)20)6-5-12-9-11-3-1-2-4-13(11)22-12/h1-4,9,14H,5-8,10H2,(H,19,20)
InChIKeyKESKWJRAZUFSQC-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.68
Rot. Bonds4

About 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid

4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119239465) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID119239465
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2cc3ccccc3o2)CCO1
InChIInChI=1S/C16H17NO5/c18-15(17-7-8-21-14(10-17)16(19)20)6-5-12-9-11-3-1-2-4-13(11)22-12/h1-4,9,14H,5-8,10H2,(H,19,20)
InChIKeyKESKWJRAZUFSQC-UHFFFAOYSA-N
XLogP1.68
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-[3-(1-benzofuran-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 126771835
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(1-benzofuran-2-yl)propan-1-one
CID 120744228
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239847

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid (CID 119239465) is 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)CCc2cc3ccccc3o2)CCO1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is KESKWJRAZUFSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c18-15(17-7-8-21-14(10-17)16(19)20)6-5-12-9-11-3-1-2-4-13(11)22-12/h1-4,9,14H,5-8,10H2,(H,19,20).
What are the key properties of 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).