2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid

C17H17NO5 — CID 129401275

IUPAC2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1
InChIInChI=1S/C17H17NO5/c19-16(20)9-15-10-18(5-7-23-15)17(21)13-3-1-2-12(8-13)14-4-6-22-11-14/h1-4,6,8,11,15H,5,7,9-10H2,(H,19,20)/t15-/m0/s1
InChIKeyTTWMAZRKBGLSQY-HNNXBMFYSA-N
MW315.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 129401275) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID129401275
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1
InChIInChI=1S/C17H17NO5/c19-16(20)9-15-10-18(5-7-23-15)17(21)13-3-1-2-12(8-13)14-4-6-22-11-14/h1-4,6,8,11,15H,5,7,9-10H2,(H,19,20)/t15-/m0/s1
InChIKeyTTWMAZRKBGLSQY-HNNXBMFYSA-N
XLogP2.26
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125120159
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid (CID 129401275) is 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1.
What is the InChIKey of 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is TTWMAZRKBGLSQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO5/c19-16(20)9-15-10-18(5-7-23-15)17(21)13-3-1-2-12(8-13)14-4-6-22-11-14/h1-4,6,8,11,15H,5,7,9-10H2,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 315.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 129401275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).