methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate

C15H21NO4 — CID 103879309

IUPACmethyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
SMILESCCc1ccc(CCC(=O)NCC(O)C(=O)OC)cc1
InChIInChI=1S/C15H21NO4/c1-3-11-4-6-12(7-5-11)8-9-14(18)16-10-13(17)15(19)20-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyJBPXMUZRJGLAQE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds7

About methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate

methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate (PubChem CID 103879309) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
PubChem CID103879309
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
SMILESCCc1ccc(CCC(=O)NCC(O)C(=O)OC)cc1
InChIInChI=1S/C15H21NO4/c1-3-11-4-6-12(7-5-11)8-9-14(18)16-10-13(17)15(19)20-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyJBPXMUZRJGLAQE-UHFFFAOYSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-(4-ethylphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 71911698
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
2-[[3-(4-ethylphenyl)propanoylamino]methyl]pentanoic acid
CID 65219639
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate (CID 103879309) is methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate is CCc1ccc(CCC(=O)NCC(O)C(=O)OC)cc1.
What is the InChIKey of methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate?
The InChIKey is JBPXMUZRJGLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-11-4-6-12(7-5-11)8-9-14(18)16-10-13(17)15(19)20-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate?
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate has a molecular weight of 279.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103879309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).