2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid

C18H19FN2O4 — CID 125153681

IUPAC2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCn1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-20-15(12-2-4-13(19)5-3-12)6-7-16(20)18(24)21-8-9-25-14(11-21)10-17(22)23/h2-7,14H,8-11H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyVXVIHHWSDOHYLW-AWEZNQCLSA-N
MW346.36 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125153681) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125153681
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCn1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-20-15(12-2-4-13(19)5-3-12)6-7-16(20)18(24)21-8-9-25-14(11-21)10-17(22)23/h2-7,14H,8-11H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyVXVIHHWSDOHYLW-AWEZNQCLSA-N
XLogP2.15
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 119247831
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid (CID 125153681) is 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid is Cn1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VXVIHHWSDOHYLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-20-15(12-2-4-13(19)5-3-12)6-7-16(20)18(24)21-8-9-25-14(11-21)10-17(22)23/h2-7,14H,8-11H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 346.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125153681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).