2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid

C16H18FNO4 — CID 124704965

IUPAC2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCO1
InChIInChI=1S/C16H18FNO4/c17-11-3-1-2-10(6-11)13-8-14(13)16(21)18-4-5-22-12(9-18)7-15(19)20/h1-3,6,12-14H,4-5,7-9H2,(H,19,20)/t12-,13-,14+/m1/s1
InChIKeyZDEMQOFIHHLIEN-MCIONIFRSA-N
MW307.32 g/mol
LogP1.63
Rot. Bonds4

About 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 124704965) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID124704965
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCO1
InChIInChI=1S/C16H18FNO4/c17-11-3-1-2-10(6-11)13-8-14(13)16(21)18-4-5-22-12(9-18)7-15(19)20/h1-3,6,12-14H,4-5,7-9H2,(H,19,20)/t12-,13-,14+/m1/s1
InChIKeyZDEMQOFIHHLIEN-MCIONIFRSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 124704965) is 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCO1.
What is the InChIKey of 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is ZDEMQOFIHHLIEN-MCIONIFRSA-N. The full InChI is InChI=1S/C16H18FNO4/c17-11-3-1-2-10(6-11)13-8-14(13)16(21)18-4-5-22-12(9-18)7-15(19)20/h1-3,6,12-14H,4-5,7-9H2,(H,19,20)/t12-,13-,14+/m1/s1.
What are the key properties of 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 307.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124704965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).