2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid

C15H17NO5 — CID 124515413

IUPAC2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1
InChIInChI=1S/C15H17NO5/c17-14(18)7-10-8-16(5-6-20-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H,17,18)/t10-,12+/m1/s1
InChIKeyIQZOSRSSOVRRGI-PWSUYJOCSA-N
MW291.30 g/mol
LogP0.86
Rot. Bonds3

About 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 124515413) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID124515413
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1
InChIInChI=1S/C15H17NO5/c17-14(18)7-10-8-16(5-6-20-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H,17,18)/t10-,12+/m1/s1
InChIKeyIQZOSRSSOVRRGI-PWSUYJOCSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133990
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132391
2-[(2R)-4-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]morpholin-2-yl]acetic acid
CID 125119321
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
2-[(2R)-4-[(1S)-3,4-dihydro-1H-isothiochromene-1-carbonyl]morpholin-2-yl]acetic acid
CID 125153005
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2,3-dihydro-1-benzofuran-3-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128968193
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333213
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657573
2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704951

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid (CID 124515413) is 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1.
What is the InChIKey of 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is IQZOSRSSOVRRGI-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17NO5/c17-14(18)7-10-8-16(5-6-20-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H,17,18)/t10-,12+/m1/s1.
What are the key properties of 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 291.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).