methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

C16H20Cl2N2O4 — CID 98773575

IUPACmethyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C16H20Cl2N2O4/c1-10(16(22)19-13-5-3-4-12(17)15(13)18)20-6-7-24-11(9-20)8-14(21)23-2/h3-5,10-11H,6-9H2,1-2H3,(H,19,22)/t10-,11+/m1/s1
InChIKeyWKLRATKCRPGIOR-MNOVXSKESA-N
MW375.25 g/mol
LogP2.58
Rot. Bonds5

About methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (PubChem CID 98773575) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
PubChem CID98773575
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Namemethyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C16H20Cl2N2O4/c1-10(16(22)19-13-5-3-4-12(17)15(13)18)20-6-7-24-11(9-20)8-14(21)23-2/h3-5,10-11H,6-9H2,1-2H3,(H,19,22)/t10-,11+/m1/s1
InChIKeyWKLRATKCRPGIOR-MNOVXSKESA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate with MolForge

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Related Compounds

N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827501
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827498
(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94459780
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (CID 98773575) is methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is COC(=O)C[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The InChIKey is WKLRATKCRPGIOR-MNOVXSKESA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c1-10(16(22)19-13-5-3-4-12(17)15(13)18)20-6-7-24-11(9-20)8-14(21)23-2/h3-5,10-11H,6-9H2,1-2H3,(H,19,22)/t10-,11+/m1/s1.
What are the key properties of methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate has a molecular weight of 375.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is sourced from PubChem (CID 98773575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).