2-amino-4-(4-phenylphenoxy)butanoic acid

C16H17NO3 — CID 63041328

IUPAC2-amino-4-(4-phenylphenoxy)butanoic acid
SMILESNC(CCOc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c17-15(16(18)19)10-11-20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,17H2,(H,18,19)
InChIKeyDKHUOXZUWDHMEL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-4-(4-phenylphenoxy)butanoic acid

2-amino-4-(4-phenylphenoxy)butanoic acid (PubChem CID 63041328) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-4-(4-phenylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-phenylphenoxy)butanoic acid
PubChem CID63041328
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-amino-4-(4-phenylphenoxy)butanoic acid
SMILESNC(CCOc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c17-15(16(18)19)10-11-20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,17H2,(H,18,19)
InChIKeyDKHUOXZUWDHMEL-UHFFFAOYSA-N
XLogP2.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[4-(3-oxo-3-phenylpropyl)phenoxy]butanoic acid
CID 70571402
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
2-amino-4-[4-[(E)-C-carbamoyl-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
CID 173388109
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
benzyl 2-amino-4-phenoxybutanoate
CID 174617727
(2R)-2-amino-4-[2-(4-methylphenoxy)ethylamino]butanoic acid
CID 166106849
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-phenylphenoxy)butanoic acid?
The IUPAC name of 2-amino-4-(4-phenylphenoxy)butanoic acid (CID 63041328) is 2-amino-4-(4-phenylphenoxy)butanoic acid.
What is the SMILES notation for 2-amino-4-(4-phenylphenoxy)butanoic acid?
The canonical SMILES for 2-amino-4-(4-phenylphenoxy)butanoic acid is NC(CCOc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-4-(4-phenylphenoxy)butanoic acid?
The InChIKey is DKHUOXZUWDHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-15(16(18)19)10-11-20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,17H2,(H,18,19).
What are the key properties of 2-amino-4-(4-phenylphenoxy)butanoic acid?
2-amino-4-(4-phenylphenoxy)butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-phenylphenoxy)butanoic acid is sourced from PubChem (CID 63041328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).