(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate

C14H19NO4 — CID 139835218

IUPAC(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate
SMILESCOCC(=O)OC(=O)[C@@H](C)Nc1c(C)cccc1C
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15-11(3)14(17)19-12(16)8-18-4/h5-7,11,15H,8H2,1-4H3/t11-/m1/s1
InChIKeyKOWJKZZETOIQQP-LLVKDONJSA-N
MW265.31 g/mol
LogP1.82
Rot. Bonds5

About (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate

(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate (PubChem CID 139835218) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate.

Molecular Properties

Compound Name(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate
PubChem CID139835218
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate
SMILESCOCC(=O)OC(=O)[C@@H](C)Nc1c(C)cccc1C
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15-11(3)14(17)19-12(16)8-18-4/h5-7,11,15H,8H2,1-4H3/t11-/m1/s1
InChIKeyKOWJKZZETOIQQP-LLVKDONJSA-N
XLogP1.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,6-dimethylanilino)propanamide
CID 89462597
2,2,2-trichloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 54313943
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70568702
2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107108545

Frequently Asked Questions

What is the IUPAC name of (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate?
The IUPAC name of (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate (CID 139835218) is (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate.
What is the SMILES notation for (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate?
The canonical SMILES for (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate is COCC(=O)OC(=O)[C@@H](C)Nc1c(C)cccc1C.
What is the InChIKey of (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate?
The InChIKey is KOWJKZZETOIQQP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15-11(3)14(17)19-12(16)8-18-4/h5-7,11,15H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate?
(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate is sourced from PubChem (CID 139835218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).