[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate

C18H19NO5 — CID 57196601

IUPAC[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
SMILESC[C@@H](O)[C@H](N)C(=O)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H19NO5/c1-12(20)16(19)18(22)24-17(21)14-9-5-6-10-15(14)23-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11,19H2,1H3/t12-,16+/m1/s1
InChIKeyWSAPFKRIYBLSCX-WBMJQRKESA-N
MW329.35 g/mol
LogP1.66
Rot. Bonds6

About [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate

[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate (PubChem CID 57196601) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
PubChem CID57196601
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
SMILESC[C@@H](O)[C@H](N)C(=O)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H19NO5/c1-12(20)16(19)18(22)24-17(21)14-9-5-6-10-15(14)23-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11,19H2,1H3/t12-,16+/m1/s1
InChIKeyWSAPFKRIYBLSCX-WBMJQRKESA-N
XLogP1.66
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
phenacyl 2-phenylmethoxybenzoate
CID 2565163
2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186357
methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
CID 70238242
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060
2-phenylmethoxybenzoyl chloride
CID 10999355
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate?
The IUPAC name of [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate (CID 57196601) is [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate is C[C@@H](O)[C@H](N)C(=O)OC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate?
The InChIKey is WSAPFKRIYBLSCX-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(20)16(19)18(22)24-17(21)14-9-5-6-10-15(14)23-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11,19H2,1H3/t12-,16+/m1/s1.
What are the key properties of [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate?
[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 57196601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).