2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid

C15H15NO3 — CID 66207160

IUPAC2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
SMILESNC(C(=O)O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-13(15(18)19)14(17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14,17H,16H2,(H,18,19)
InChIKeyBKVWPZXKWDNNNH-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid

2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid (PubChem CID 66207160) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
PubChem CID66207160
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
SMILESNC(C(=O)O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-13(15(18)19)14(17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14,17H,16H2,(H,18,19)
InChIKeyBKVWPZXKWDNNNH-UHFFFAOYSA-N
XLogP1.80
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
2-[hydroxy-(4-phenylphenyl)methyl]-3-methylbutanoic acid
CID 62396839
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433
sodium;(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;hydride
CID 173371497
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
CID 131186284

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid (CID 66207160) is 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid is NC(C(=O)O)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The InChIKey is BKVWPZXKWDNNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c16-13(15(18)19)14(17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14,17H,16H2,(H,18,19).
What are the key properties of 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 66207160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).