3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid

C14H21NO4 — CID 106305496

IUPAC3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
SMILESO=C(O)C(CNCCCOCCO)c1ccccc1
InChIInChI=1S/C14H21NO4/c16-8-10-19-9-4-7-15-11-13(14(17)18)12-5-2-1-3-6-12/h1-3,5-6,13,15-16H,4,7-11H2,(H,17,18)
InChIKeyUOASUYRXTMQENX-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.84
Rot. Bonds10

About 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid

3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid (PubChem CID 106305496) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
PubChem CID106305496
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
SMILESO=C(O)C(CNCCCOCCO)c1ccccc1
InChIInChI=1S/C14H21NO4/c16-8-10-19-9-4-7-15-11-13(14(17)18)12-5-2-1-3-6-12/h1-3,5-6,13,15-16H,4,7-11H2,(H,17,18)
InChIKeyUOASUYRXTMQENX-UHFFFAOYSA-N
XLogP0.84
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
CID 106311040
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
3-(3-methylsulfanylbutylamino)-2-phenylpropanoic acid
CID 113493975
2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoic acid
CID 106429398
2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106309771

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid (CID 106305496) is 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid is O=C(O)C(CNCCCOCCO)c1ccccc1.
What is the InChIKey of 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid?
The InChIKey is UOASUYRXTMQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-8-10-19-9-4-7-15-11-13(14(17)18)12-5-2-1-3-6-12/h1-3,5-6,13,15-16H,4,7-11H2,(H,17,18).
What are the key properties of 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid?
3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid has a molecular weight of 267.32 g/mol, XLogP of 0.84, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 106305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).