ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate

C14H19NO4 — CID 66206133

IUPACethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
SMILESCCOC(=O)C(NC=O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H19NO4/c1-4-19-14(18)12(15-8-16)13(17)11-6-5-9(2)7-10(11)3/h5-8,12-13,17H,4H2,1-3H3,(H,15,16)
InChIKeyRFPYISPQYZENQD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.01
Rot. Bonds6

About ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate

ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate (PubChem CID 66206133) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
PubChem CID66206133
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
SMILESCCOC(=O)C(NC=O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H19NO4/c1-4-19-14(18)12(15-8-16)13(17)11-6-5-9(2)7-10(11)3/h5-8,12-13,17H,4H2,1-3H3,(H,15,16)
InChIKeyRFPYISPQYZENQD-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
ethyl 3-(2,4-difluorophenyl)-2-formamido-3-hydroxypropanoate
CID 66205926
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 3-(5-bromo-2-methoxyphenyl)-2-formamido-3-hydroxypropanoate
CID 66204297
ethyl 3-(4-tert-butylphenyl)-2-formamido-3-hydroxypropanoate
CID 66206737
ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
CID 66207149
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
methyl 2-[(2,4-dimethylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62393854
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate?
The IUPAC name of ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate (CID 66206133) is ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate is CCOC(=O)C(NC=O)C(O)c1ccc(C)cc1C.
What is the InChIKey of ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate?
The InChIKey is RFPYISPQYZENQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-14(18)12(15-8-16)13(17)11-6-5-9(2)7-10(11)3/h5-8,12-13,17H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate?
ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate has a molecular weight of 265.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate is sourced from PubChem (CID 66206133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).