2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid

C16H21NO4 — CID 120516172

IUPAC2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
SMILESC=CC(CC(=O)N(CCOC)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-3-13(14-7-5-4-6-8-14)11-15(18)17(9-10-21-2)12-16(19)20/h3-8,13H,1,9-12H2,2H3,(H,19,20)
InChIKeyIXUXGLTVUVYIFT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.91
Rot. Bonds9

About 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid

2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid (PubChem CID 120516172) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
PubChem CID120516172
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
SMILESC=CC(CC(=O)N(CCOC)CC(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-3-13(14-7-5-4-6-8-14)11-15(18)17(9-10-21-2)12-16(19)20/h3-8,13H,1,9-12H2,2H3,(H,19,20)
InChIKeyIXUXGLTVUVYIFT-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
3-[2-methylpropyl(3-phenylpent-4-enoyl)amino]propanoic acid
CID 120516356
2-[butan-2-yl(3-phenylpent-4-enoyl)amino]acetic acid
CID 120529846
3-[methoxy(3-phenylpent-4-enoyl)amino]butanoic acid
CID 138014405
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980754
2-[2-methoxyethyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetic acid
CID 119348186
2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119189540
3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 119951069
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid (CID 120516172) is 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid is C=CC(CC(=O)N(CCOC)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid?
The InChIKey is IXUXGLTVUVYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-13(14-7-5-4-6-8-14)11-15(18)17(9-10-21-2)12-16(19)20/h3-8,13H,1,9-12H2,2H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid?
2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid is sourced from PubChem (CID 120516172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).