3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid

C17H19NO3 — CID 121229070

IUPAC3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESNCC(C(=O)O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c18-12-16(17(19)20)14-6-8-15(9-7-14)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2,(H,19,20)
InChIKeyLBBFUQAYBUUGAC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.43
Rot. Bonds7

About 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid

3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid (PubChem CID 121229070) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid
PubChem CID121229070
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESNCC(C(=O)O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c18-12-16(17(19)20)14-6-8-15(9-7-14)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2,(H,19,20)
InChIKeyLBBFUQAYBUUGAC-UHFFFAOYSA-N
XLogP2.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-amino-2-(4-butoxyphenyl)propanoic acid
CID 125032808
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
CID 173321187
2-[4-[2-[4-(1,2-dicarboxyethyl)phenoxy]ethoxy]phenyl]butanedioic acid
CID 5159637
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
(2S)-3-amino-2-[4-(benzoyloxymethyl)phenyl]propanoic acid
CID 168986361
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
CID 22683722
butyl 3-amino-2-[4-(3,3-diphenylpropoxy)phenyl]propanoate
CID 57103138
2-isocyano-1-[4-(2-phenylethoxy)phenyl]ethanol
CID 3677413
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid?
The IUPAC name of 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid (CID 121229070) is 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid is NCC(C(=O)O)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid?
The InChIKey is LBBFUQAYBUUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c18-12-16(17(19)20)14-6-8-15(9-7-14)21-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2,(H,19,20).
What are the key properties of 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid?
3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 121229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).