2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

C15H15FN2O4 — CID 119248354

IUPAC2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1
InChIInChI=1S/C15H15FN2O4/c16-10-1-2-12-9(5-10)6-13(17-12)15(21)18-3-4-22-11(8-18)7-14(19)20/h1-2,5-6,11,17H,3-4,7-8H2,(H,19,20)
InChIKeySATQKNOLBAMYKR-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248354) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119248354
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1
InChIInChI=1S/C15H15FN2O4/c16-10-1-2-12-9(5-10)6-13(17-12)15(21)18-3-4-22-11(8-18)7-14(19)20/h1-2,5-6,11,17H,3-4,7-8H2,(H,19,20)
InChIKeySATQKNOLBAMYKR-UHFFFAOYSA-N
XLogP1.62
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 45173722
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 125153681
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(4-bromo-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid (CID 119248354) is 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1.
What is the InChIKey of 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is SATQKNOLBAMYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-10-1-2-12-9(5-10)6-13(17-12)15(21)18-3-4-22-11(8-18)7-14(19)20/h1-2,5-6,11,17H,3-4,7-8H2,(H,19,20).
What are the key properties of 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 306.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).