4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid

C12H15NO5 — CID 21475226

IUPAC4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
SMILESO=CN(CCC(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO5/c14-9-13(7-6-11(15)12(16)17)18-8-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,17)
InChIKeyXAVZJUPVSNALGI-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.41
Rot. Bonds8

About 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid

4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid (PubChem CID 21475226) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
PubChem CID21475226
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
SMILESO=CN(CCC(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO5/c14-9-13(7-6-11(15)12(16)17)18-8-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,17)
InChIKeyXAVZJUPVSNALGI-UHFFFAOYSA-N
XLogP0.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide
CID 57042155
N-pentyl-N-phenylmethoxyformamide
CID 88956477
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
CID 19367512
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
CID 11315702
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
methyl 7-[formyl(phenylmethoxy)amino]-3-oxo-2-phenylheptanoate
CID 57082601
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
CID 57164211

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid (CID 21475226) is 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid is O=CN(CCC(O)C(=O)O)OCc1ccccc1.
What is the InChIKey of 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid?
The InChIKey is XAVZJUPVSNALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-9-13(7-6-11(15)12(16)17)18-8-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,17).
What are the key properties of 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid?
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 21475226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).