2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid

C15H21NO5 — CID 4733202

IUPAC2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCCCOc1cccc(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-3-4-8-20-12-6-5-7-13(9-12)21-10-14(17)16-11(2)15(18)19/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVAULROOSKPRGAL-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.83
Rot. Bonds9

About 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid

2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 4733202) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID4733202
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCCCOc1cccc(OCC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-3-4-8-20-12-6-5-7-13(9-12)21-10-14(17)16-11(2)15(18)19/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVAULROOSKPRGAL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
2-[[2-(3-heptoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 4733416
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-[[2-(4-butoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 4732780
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(2S)-2-[[2-(3-methylphenoxy)acetyl]amino]hexanoic acid
CID 107144458

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid (CID 4733202) is 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid is CCCCOc1cccc(OCC(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is VAULROOSKPRGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-4-8-20-12-6-5-7-13(9-12)21-10-14(17)16-11(2)15(18)19/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid?
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 4733202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).