[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C12H13Cl2NO4 — CID 7862401

IUPAC[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCNC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO4/c1-7(12(17)18-6-11(16)15-2)19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyWVESCVUKVZHKCH-SSDOTTSWSA-N
MW306.15 g/mol
LogP2.05
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7862401) has the molecular formula C12H13Cl2NO4 and a molecular weight of 306.15 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7862401
Molecular FormulaC12H13Cl2NO4
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCNC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO4/c1-7(12(17)18-6-11(16)15-2)19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyWVESCVUKVZHKCH-SSDOTTSWSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-(2-methoxyethylamino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862378
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
[2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872964
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
[2-(2,4-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872967
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 7862401) is [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is CNC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is WVESCVUKVZHKCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13Cl2NO4/c1-7(12(17)18-6-11(16)15-2)19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 306.15 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7862401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).