2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid

C16H19F2NO4 — CID 124702410

IUPAC2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C16H19F2NO4/c17-13-5-4-11(8-14(13)18)2-1-3-15(20)19-6-7-23-12(10-19)9-16(21)22/h4-5,8,12H,1-3,6-7,9-10H2,(H,21,22)/t12-/m0/s1
InChIKeyCSKLHCBJKVXYLK-LBPRGKRZSA-N
MW327.33 g/mol
LogP1.99
Rot. Bonds6

About 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 124702410) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
PubChem CID124702410
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C16H19F2NO4/c17-13-5-4-11(8-14(13)18)2-1-3-15(20)19-6-7-23-12(10-19)9-16(21)22/h4-5,8,12H,1-3,6-7,9-10H2,(H,21,22)/t12-/m0/s1
InChIKeyCSKLHCBJKVXYLK-LBPRGKRZSA-N
XLogP1.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[(2S)-4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125120141
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid (CID 124702410) is 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CCO1.
What is the InChIKey of 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is CSKLHCBJKVXYLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19F2NO4/c17-13-5-4-11(8-14(13)18)2-1-3-15(20)19-6-7-23-12(10-19)9-16(21)22/h4-5,8,12H,1-3,6-7,9-10H2,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 327.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124702410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).