amino 4-(2-hydroxy-4-phenylphenyl)butanoate

C16H17NO3 — CID 174505163

IUPACamino 4-(2-hydroxy-4-phenylphenyl)butanoate
SMILESNOC(=O)CCCc1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C16H17NO3/c17-20-16(19)8-4-7-13-9-10-14(11-15(13)18)12-5-2-1-3-6-12/h1-3,5-6,9-11,18H,4,7-8,17H2
InChIKeyIASLASIENVYVLO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds5

About amino 4-(2-hydroxy-4-phenylphenyl)butanoate

amino 4-(2-hydroxy-4-phenylphenyl)butanoate (PubChem CID 174505163) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is amino 4-(2-hydroxy-4-phenylphenyl)butanoate.

Molecular Properties

Compound Nameamino 4-(2-hydroxy-4-phenylphenyl)butanoate
PubChem CID174505163
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameamino 4-(2-hydroxy-4-phenylphenyl)butanoate
SMILESNOC(=O)CCCc1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C16H17NO3/c17-20-16(19)8-4-7-13-9-10-14(11-15(13)18)12-5-2-1-3-6-12/h1-3,5-6,9-11,18H,4,7-8,17H2
InChIKeyIASLASIENVYVLO-UHFFFAOYSA-N
XLogP2.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
CID 160730558
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
3-(2-amino-4-phenylphenyl)propanoic acid
CID 67367473
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
amino 9-oxo-9-phenylnonanoate
CID 174840256
ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
1-O-amino 3-O-tert-butyl (2S)-2-[3-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-phenylphenyl]propyl]propanedioate
CID 174494135
2-hydroxy-4-phenylbenzamide
CID 19349044
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
6-(2-hydroxyphenyl)-2-methylhexan-3-one
CID 83930520
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800

Frequently Asked Questions

What is the IUPAC name of amino 4-(2-hydroxy-4-phenylphenyl)butanoate?
The IUPAC name of amino 4-(2-hydroxy-4-phenylphenyl)butanoate (CID 174505163) is amino 4-(2-hydroxy-4-phenylphenyl)butanoate.
What is the SMILES notation for amino 4-(2-hydroxy-4-phenylphenyl)butanoate?
The canonical SMILES for amino 4-(2-hydroxy-4-phenylphenyl)butanoate is NOC(=O)CCCc1ccc(-c2ccccc2)cc1O.
What is the InChIKey of amino 4-(2-hydroxy-4-phenylphenyl)butanoate?
The InChIKey is IASLASIENVYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-20-16(19)8-4-7-13-9-10-14(11-15(13)18)12-5-2-1-3-6-12/h1-3,5-6,9-11,18H,4,7-8,17H2.
What are the key properties of amino 4-(2-hydroxy-4-phenylphenyl)butanoate?
amino 4-(2-hydroxy-4-phenylphenyl)butanoate has a molecular weight of 271.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-(2-hydroxy-4-phenylphenyl)butanoate is sourced from PubChem (CID 174505163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).