2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid

C16H17NO4 — CID 67114059

IUPAC2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
SMILESNC(CCc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO4/c17-15(16(19)20)10-3-11-1-6-13(7-2-11)21-14-8-4-12(18)5-9-14/h1-2,4-9,15,18H,3,10,17H2,(H,19,20)
InChIKeyHPMIVIOVVPZTPH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid

2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid (PubChem CID 67114059) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
PubChem CID67114059
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
SMILESNC(CCc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO4/c17-15(16(19)20)10-3-11-1-6-13(7-2-11)21-14-8-4-12(18)5-9-14/h1-2,4-9,15,18H,3,10,17H2,(H,19,20)
InChIKeyHPMIVIOVVPZTPH-UHFFFAOYSA-N
XLogP2.53
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2S)-2-amino-4-(4-phosphonooxyphenyl)butanoic acid
CID 163481333
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-[4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 70292963
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid?
The IUPAC name of 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid (CID 67114059) is 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid?
The canonical SMILES for 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid is NC(CCc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid?
The InChIKey is HPMIVIOVVPZTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c17-15(16(19)20)10-3-11-1-6-13(7-2-11)21-14-8-4-12(18)5-9-14/h1-2,4-9,15,18H,3,10,17H2,(H,19,20).
What are the key properties of 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid?
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid is sourced from PubChem (CID 67114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).