2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid

C14H19NO4 — CID 112513636

IUPAC2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCCc1cc(CC(=O)NC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-11-7-10(5-6-12(11)19-3)8-13(16)15-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVLGWZVOOYVCWHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds6

About 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid

2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 112513636) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
PubChem CID112513636
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCCc1cc(CC(=O)NC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-11-7-10(5-6-12(11)19-3)8-13(16)15-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVLGWZVOOYVCWHZ-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
(2S)-2-[[2-(4-acetylphenyl)acetyl]amino]propanoic acid
CID 119943006
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid (CID 112513636) is 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid is CCc1cc(CC(=O)NC(C)C(=O)O)ccc1OC.
What is the InChIKey of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is VLGWZVOOYVCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-11-7-10(5-6-12(11)19-3)8-13(16)15-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?
2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 112513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).