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

C16H17Cl2NO4 — CID 124704951

IUPAC2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C16H17Cl2NO4/c17-13-3-1-2-10(15(13)18)11-7-12(11)16(22)19-4-5-23-9(8-19)6-14(20)21/h1-3,9,11-12H,4-8H2,(H,20,21)/t9-,11-,12-/m1/s1
InChIKeyFTHODCZSPUCXTO-YUSALJHKSA-N
MW358.22 g/mol
LogP2.80
Rot. Bonds4

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

2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 124704951) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID124704951
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C16H17Cl2NO4/c17-13-3-1-2-10(15(13)18)11-7-12(11)16(22)19-4-5-23-9(8-19)6-14(20)21/h1-3,9,11-12H,4-8H2,(H,20,21)/t9-,11-,12-/m1/s1
InChIKeyFTHODCZSPUCXTO-YUSALJHKSA-N
XLogP2.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)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-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
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
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576628
[2-(2-chlorophenyl)cyclopropyl]-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 55948147
2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 120746803
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120746802
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 124704951) is 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is FTHODCZSPUCXTO-YUSALJHKSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c17-13-3-1-2-10(15(13)18)11-7-12(11)16(22)19-4-5-23-9(8-19)6-14(20)21/h1-3,9,11-12H,4-8H2,(H,20,21)/t9-,11-,12-/m1/s1.
What are the key properties of 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 358.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124704951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).