methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate

C15H20Cl2N2O4 — CID 71035559

IUPACmethyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate
SMILESCOCCN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C15H20Cl2N2O4/c1-19(6-7-22-2)15(21)18-13(14(20)23-3)8-10-4-5-11(16)9-12(10)17/h4-5,9,13H,6-8H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyVDGDEWCEASDLDT-CYBMUJFWSA-N
MW363.24 g/mol
LogP2.37
Rot. Bonds7

About methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate

methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate (PubChem CID 71035559) has the molecular formula C15H20Cl2N2O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate
PubChem CID71035559
Molecular FormulaC15H20Cl2N2O4
Molecular Weight363.24 g/mol
Exact Mass362.08
IUPAC Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate
SMILESCOCCN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C15H20Cl2N2O4/c1-19(6-7-22-2)15(21)18-13(14(20)23-3)8-10-4-5-11(16)9-12(10)17/h4-5,9,13H,6-8H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyVDGDEWCEASDLDT-CYBMUJFWSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
CID 59505092
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
methyl (2S)-2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
CID 141268042
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708
methyl (2S)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenyl)propanoate
CID 6977133
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871
methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
CID 59504973

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate (CID 71035559) is methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate is COCCN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate?
The InChIKey is VDGDEWCEASDLDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4/c1-19(6-7-22-2)15(21)18-13(14(20)23-3)8-10-4-5-11(16)9-12(10)17/h4-5,9,13H,6-8H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate?
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate has a molecular weight of 363.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 71035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).