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

C17H21NO5 — CID 125150604

IUPAC2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCOc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](CC(=O)O)C2)c1
InChIInChI=1S/C17H21NO5/c1-22-12-4-2-3-11(7-12)14-9-15(14)17(21)18-5-6-23-13(10-18)8-16(19)20/h2-4,7,13-15H,5-6,8-10H2,1H3,(H,19,20)/t13-,14-,15+/m0/s1
InChIKeyFEAOPICPKJRQIT-SOUVJXGZSA-N
MW319.36 g/mol
LogP1.50
Rot. Bonds5

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

2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 125150604) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID125150604
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCOc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](CC(=O)O)C2)c1
InChIInChI=1S/C17H21NO5/c1-22-12-4-2-3-11(7-12)14-9-15(14)17(21)18-5-6-23-13(10-18)8-16(19)20/h2-4,7,13-15H,5-6,8-10H2,1H3,(H,19,20)/t13-,14-,15+/m0/s1
InChIKeyFEAOPICPKJRQIT-SOUVJXGZSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

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
2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
[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
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979232
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
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 125150604) is 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is COc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](CC(=O)O)C2)c1.
What is the InChIKey of 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is FEAOPICPKJRQIT-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H21NO5/c1-22-12-4-2-3-11(7-12)14-9-15(14)17(21)18-5-6-23-13(10-18)8-16(19)20/h2-4,7,13-15H,5-6,8-10H2,1H3,(H,19,20)/t13-,14-,15+/m0/s1.
What are the key properties of 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 319.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).