5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid

C15H21NO5 — CID 81085334

IUPAC5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-20-9-5-7-12(15(18)19)16-14(17)10-11-6-3-4-8-13(11)21-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNEDQJXYNXQYLEW-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.23
Rot. Bonds9

About 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid

5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 81085334) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID81085334
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-20-9-5-7-12(15(18)19)16-14(17)10-11-6-3-4-8-13(11)21-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNEDQJXYNXQYLEW-UHFFFAOYSA-N
XLogP1.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 43216762
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085672
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid (CID 81085334) is 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid is COCCCC(NC(=O)Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is NEDQJXYNXQYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-20-9-5-7-12(15(18)19)16-14(17)10-11-6-3-4-8-13(11)21-2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid?
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 81085334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).