3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid

C14H19NO5 — CID 43358425

IUPAC3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCOCCOCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-19-7-8-20-10-13(16)15-12(9-14(17)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyQBOTVAPCZNHMOC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.98
Rot. Bonds9

About 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid

3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 43358425) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
PubChem CID43358425
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCOCCOCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-19-7-8-20-10-13(16)15-12(9-14(17)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyQBOTVAPCZNHMOC-UHFFFAOYSA-N
XLogP0.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.98
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

2-(2-methoxyethoxy)-N-(1-phenylpropyl)acetamide
CID 103612351
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393
(3R)-3-(4-bromophenyl)-3-(3-methoxypropanoylamino)propanoic acid
CID 97324036
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid (CID 43358425) is 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid is COCCOCC(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is QBOTVAPCZNHMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-7-8-20-10-13(16)15-12(9-14(17)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 43358425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).