methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate

C19H21NO5 — CID 70238242

IUPACmethyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C19H21NO5/c1-13(21)17(19(23)24-2)20-18(22)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13,17,21H,12H2,1-2H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyFWSOSYYGJQCLEX-DYVFJYSZSA-N
MW343.38 g/mol
LogP1.92
Rot. Bonds7

About methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate

methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate (PubChem CID 70238242) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
PubChem CID70238242
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C19H21NO5/c1-13(21)17(19(23)24-2)20-18(22)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13,17,21H,12H2,1-2H3,(H,20,22)/t13-,17+/m1/s1
InChIKeyFWSOSYYGJQCLEX-DYVFJYSZSA-N
XLogP1.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
benzyl 2-benzamido-3-hydroxybutanoate
CID 14420261
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
CID 57196601
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate (CID 70238242) is methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate is COC(=O)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate?
The InChIKey is FWSOSYYGJQCLEX-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13(21)17(19(23)24-2)20-18(22)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13,17,21H,12H2,1-2H3,(H,20,22)/t13-,17+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate?
methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate has a molecular weight of 343.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate is sourced from PubChem (CID 70238242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).