4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid

C12H15NO5 — CID 57003266

IUPAC4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=CNC(CC(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO5/c14-8-13-11(6-10(15)12(16)17)18-7-9-4-2-1-3-5-9/h1-5,8,10-11,15H,6-7H2,(H,13,14)(H,16,17)
InChIKeyHNZLGELAIGDXAJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.11
Rot. Bonds8

About 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid

4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid (PubChem CID 57003266) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid
PubChem CID57003266
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=CNC(CC(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO5/c14-8-13-11(6-10(15)12(16)17)18-7-9-4-2-1-3-5-9/h1-5,8,10-11,15H,6-7H2,(H,13,14)(H,16,17)
InChIKeyHNZLGELAIGDXAJ-UHFFFAOYSA-N
XLogP0.11
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-formamido-3-phenylmethoxypropanoic acid
CID 87105674
4-(2-formamido-2-phenylmethoxyethyl)benzoic acid
CID 57006197
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
2-[4-[(3-formamido-3-phenylmethoxypropyl)-phenylmethoxycarbonylamino]butyl-phenylmethoxycarbonylamino]acetic acid
CID 87103791
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
4-formamido-3-methyl-2-phenylmethoxybutanoic acid
CID 174622466
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408
4-hydroxy-2-phenylmethoxypentanal
CID 150721664
2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824

Frequently Asked Questions

What is the IUPAC name of 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid?
The IUPAC name of 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid (CID 57003266) is 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid.
What is the SMILES notation for 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid?
The canonical SMILES for 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid is O=CNC(CC(O)C(=O)O)OCc1ccccc1.
What is the InChIKey of 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid?
The InChIKey is HNZLGELAIGDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-8-13-11(6-10(15)12(16)17)18-7-9-4-2-1-3-5-9/h1-5,8,10-11,15H,6-7H2,(H,13,14)(H,16,17).
What are the key properties of 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid?
4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 57003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).