2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid

C14H21NO4 — CID 67284187

IUPAC2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
SMILESCOCCOCCNC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-18-9-10-19-8-7-15-13(14(16)17)11-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3,(H,16,17)
InChIKeySXPPTMIMDAFQBH-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.93
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid

2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid (PubChem CID 67284187) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
PubChem CID67284187
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
SMILESCOCCOCCNC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-18-9-10-19-8-7-15-13(14(16)17)11-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3,(H,16,17)
InChIKeySXPPTMIMDAFQBH-UHFFFAOYSA-N
XLogP0.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.93
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-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
(2S)-2-(3-methoxypropylcarbamoylamino)-3-phenylpropanoic acid
CID 2001021
(2S)-2-[3-[2-(2-hydroxyethoxy)ethylamino]butanoylamino]-3-phenylpropanoic acid
CID 56645626
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
CID 122037947
(2S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-3-phenylpropanoic acid
CID 10708863
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
CID 175753969
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
CID 120913356
(2S)-2-[(1-methoxy-4-methylpentan-2-yl)amino]-3-phenylpropanoic acid
CID 122037606
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid (CID 67284187) is 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid is COCCOCCNC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid?
The InChIKey is SXPPTMIMDAFQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-9-10-19-8-7-15-13(14(16)17)11-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid?
2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid has a molecular weight of 267.32 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 67284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).