(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid

C18H19NO5 — CID 124703973

IUPAC(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCO1
InChIInChI=1S/C18H19NO5/c20-17(19-10-11-23-16(12-19)18(21)22)9-7-14-6-8-15(24-14)13-4-2-1-3-5-13/h1-6,8,16H,7,9-12H2,(H,21,22)/t16-/m1/s1
InChIKeyFIXQSKKRVJTEBY-MRXNPFEDSA-N
MW329.35 g/mol
LogP2.19
Rot. Bonds5

About (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid

(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 124703973) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID124703973
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCO1
InChIInChI=1S/C18H19NO5/c20-17(19-10-11-23-16(12-19)18(21)22)9-7-14-6-8-15(24-14)13-4-2-1-3-5-13/h1-6,8,16H,7,9-12H2,(H,21,22)/t16-/m1/s1
InChIKeyFIXQSKKRVJTEBY-MRXNPFEDSA-N
XLogP2.19
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 9108423
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 9111348
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-[1-[3-(5-phenylfuran-2-yl)propanoyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 167745631

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid (CID 124703973) is (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCO1.
What is the InChIKey of (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is FIXQSKKRVJTEBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO5/c20-17(19-10-11-23-16(12-19)18(21)22)9-7-14-6-8-15(24-14)13-4-2-1-3-5-13/h1-6,8,16H,7,9-12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124703973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).