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

C17H19NO3 — CID 13210432

IUPACbenzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c18-15(11-13-7-3-1-4-8-13)16(19)17(20)21-12-14-9-5-2-6-10-14/h1-10,15-16,19H,11-12,18H2/t15-,16+/m1/s1
InChIKeyWDBUVZDZTQZXFC-CVEARBPZSA-N
MW285.34 g/mol
LogP1.66
Rot. Bonds6

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

benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate (PubChem CID 13210432) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
PubChem CID13210432
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c18-15(11-13-7-3-1-4-8-13)16(19)17(20)21-12-14-9-5-2-6-10-14/h1-10,15-16,19H,11-12,18H2/t15-,16+/m1/s1
InChIKeyWDBUVZDZTQZXFC-CVEARBPZSA-N
XLogP1.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
benzyl (3S)-3-amino-2-hydroxyheptanoate
CID 56995658
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
methyl (2S,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoate
CID 10041390
benzyl (2S)-4-amino-2-benzyl-3,4-dihydroxybutanoate
CID 150377041
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 172569168

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate?
The IUPAC name of benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate (CID 13210432) is benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate is N[C@H](Cc1ccccc1)[C@H](O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate?
The InChIKey is WDBUVZDZTQZXFC-CVEARBPZSA-N. The full InChI is InChI=1S/C17H19NO3/c18-15(11-13-7-3-1-4-8-13)16(19)17(20)21-12-14-9-5-2-6-10-14/h1-10,15-16,19H,11-12,18H2/t15-,16+/m1/s1.
What are the key properties of benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate?
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate has a molecular weight of 285.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 13210432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).