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

C23H25NO5 — CID 125134084

IUPAC2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCO1
InChIInChI=1S/C23H25NO5/c25-22(26)12-19-14-24(10-11-28-19)23(27)21-13-20(21)17-6-8-18(9-7-17)29-15-16-4-2-1-3-5-16/h1-9,19-21H,10-15H2,(H,25,26)/t19-,20+,21+/m1/s1
InChIKeyXUQHZTYCQLFWLB-HKBOAZHASA-N
MW395.46 g/mol
LogP3.07
Rot. Bonds7

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

2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 125134084) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID125134084
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCO1
InChIInChI=1S/C23H25NO5/c25-22(26)12-19-14-24(10-11-28-19)23(27)21-13-20(21)17-6-8-18(9-7-17)29-15-16-4-2-1-3-5-16/h1-9,19-21H,10-15H2,(H,25,26)/t19-,20+,21+/m1/s1
InChIKeyXUQHZTYCQLFWLB-HKBOAZHASA-N
XLogP3.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704965
2-[4-[2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 119248827
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 166307589
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 74227620
2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704951
2-[(2S)-4-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124699395
2-[(2S)-4-[(1S,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124698180

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 125134084) is 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCO1.
What is the InChIKey of 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is XUQHZTYCQLFWLB-HKBOAZHASA-N. The full InChI is InChI=1S/C23H25NO5/c25-22(26)12-19-14-24(10-11-28-19)23(27)21-13-20(21)17-6-8-18(9-7-17)29-15-16-4-2-1-3-5-16/h1-9,19-21H,10-15H2,(H,25,26)/t19-,20+,21+/m1/s1.
What are the key properties of 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 395.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125134084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).