phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate

C16H17NO3 — CID 174516646

IUPACphenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate
SMILESN[C@H](C(=O)Oc1ccccc1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c17-15(14(18)11-12-7-3-1-4-8-12)16(19)20-13-9-5-2-6-10-13/h1-10,14-15,18H,11,17H2/t14-,15+/m1/s1
InChIKeyBMKFNHUJAVXBIY-CABCVRRESA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds5

About phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate

phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate (PubChem CID 174516646) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Namephenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate
PubChem CID174516646
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namephenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate
SMILESN[C@H](C(=O)Oc1ccccc1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c17-15(14(18)11-12-7-3-1-4-8-12)16(19)20-13-9-5-2-6-10-13/h1-10,14-15,18H,11,17H2/t14-,15+/m1/s1
InChIKeyBMKFNHUJAVXBIY-CABCVRRESA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (2S)-3-phenyl-2-thionitrosopropanoate;hydrochloride
CID 88771740
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
benzyl 2-amino-3-hydroxypentanoate
CID 68991672
3-amino-1-phenylpentan-2-ol
CID 57155399
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
phenyl 2-azido-3-phenylpropanoate
CID 75291356
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
phenyl 2-amino-3-sulfanylpropanoate
CID 19387766
phenyl 3-amino-2-hydroxybutanoate
CID 174562761
[(2R,3R)-2,3-dihydroxy-4-phenylbutyl] acetate
CID 10585224

Frequently Asked Questions

What is the IUPAC name of phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate?
The IUPAC name of phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate (CID 174516646) is phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate.
What is the SMILES notation for phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate?
The canonical SMILES for phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate is N[C@H](C(=O)Oc1ccccc1)[C@H](O)Cc1ccccc1.
What is the InChIKey of phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate?
The InChIKey is BMKFNHUJAVXBIY-CABCVRRESA-N. The full InChI is InChI=1S/C16H17NO3/c17-15(14(18)11-12-7-3-1-4-8-12)16(19)20-13-9-5-2-6-10-13/h1-10,14-15,18H,11,17H2/t14-,15+/m1/s1.
What are the key properties of phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate?
phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate has a molecular weight of 271.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S,3R)-2-amino-3-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 174516646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).