2,3,4-trihydroxy-N-phenylmethoxybutanamide

C11H15NO5 — CID 130149986

IUPAC2,3,4-trihydroxy-N-phenylmethoxybutanamide
SMILESO=C(NOCc1ccccc1)C(O)C(O)CO
InChIInChI=1S/C11H15NO5/c13-6-9(14)10(15)11(16)12-17-7-8-4-2-1-3-5-8/h1-5,9-10,13-15H,6-7H2,(H,12,16)
InChIKeyBWCSWJRHCYEHRL-UHFFFAOYSA-N
MW241.24 g/mol
LogP-1.05
Rot. Bonds6

About 2,3,4-trihydroxy-N-phenylmethoxybutanamide

2,3,4-trihydroxy-N-phenylmethoxybutanamide (PubChem CID 130149986) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-phenylmethoxybutanamide
PubChem CID130149986
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2,3,4-trihydroxy-N-phenylmethoxybutanamide
SMILESO=C(NOCc1ccccc1)C(O)C(O)CO
InChIInChI=1S/C11H15NO5/c13-6-9(14)10(15)11(16)12-17-7-8-4-2-1-3-5-8/h1-5,9-10,13-15H,6-7H2,(H,12,16)
InChIKeyBWCSWJRHCYEHRL-UHFFFAOYSA-N
XLogP-1.05
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
benzyl N-[(2S,4R,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]carbamate
CID 54273519
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
2-bromo-3-methyl-N-phenylmethoxybutanamide
CID 64974144
benzyl 2-[[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]amino]acetate
CID 54238279
2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide
CID 10380279
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-phenylmethoxybutanamide?
The IUPAC name of 2,3,4-trihydroxy-N-phenylmethoxybutanamide (CID 130149986) is 2,3,4-trihydroxy-N-phenylmethoxybutanamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-phenylmethoxybutanamide?
The canonical SMILES for 2,3,4-trihydroxy-N-phenylmethoxybutanamide is O=C(NOCc1ccccc1)C(O)C(O)CO.
What is the InChIKey of 2,3,4-trihydroxy-N-phenylmethoxybutanamide?
The InChIKey is BWCSWJRHCYEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-6-9(14)10(15)11(16)12-17-7-8-4-2-1-3-5-8/h1-5,9-10,13-15H,6-7H2,(H,12,16).
What are the key properties of 2,3,4-trihydroxy-N-phenylmethoxybutanamide?
2,3,4-trihydroxy-N-phenylmethoxybutanamide has a molecular weight of 241.24 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-phenylmethoxybutanamide is sourced from PubChem (CID 130149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).