3-formamido-3-phenylmethoxypropanoic acid

C11H13NO4 — CID 87105674

IUPAC3-formamido-3-phenylmethoxypropanoic acid
SMILESO=CNC(CC(=O)O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c13-8-12-10(6-11(14)15)16-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,12,13)(H,14,15)
InChIKeyJKGHDCKAQSKJBI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.75
Rot. Bonds7

About 3-formamido-3-phenylmethoxypropanoic acid

3-formamido-3-phenylmethoxypropanoic acid (PubChem CID 87105674) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-formamido-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name3-formamido-3-phenylmethoxypropanoic acid
PubChem CID87105674
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-formamido-3-phenylmethoxypropanoic acid
SMILESO=CNC(CC(=O)O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c13-8-12-10(6-11(14)15)16-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,12,13)(H,14,15)
InChIKeyJKGHDCKAQSKJBI-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-formamido-2-hydroxy-4-phenylmethoxybutanoic acid
CID 57003266
4-(2-formamido-2-phenylmethoxyethyl)benzoic acid
CID 57006197
2-[4-[(3-formamido-3-phenylmethoxypropyl)-phenylmethoxycarbonylamino]butyl-phenylmethoxycarbonylamino]acetic acid
CID 87103791
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
2-(phenylmethoxymethoxyamino)acetic acid
CID 20725030
(3S,4S)-3,4-bis(phenylmethoxy)hex-5-enoic acid
CID 135016316
(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215
3-cyano-4-phenylmethoxybutanoic acid
CID 90860615
3-(phenylmethoxycarbonylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
CID 175256770
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
4-oxo-4-phenylmethoxy-3-phenylmethoxycarbonylbutanoic acid
CID 23598271

Frequently Asked Questions

What is the IUPAC name of 3-formamido-3-phenylmethoxypropanoic acid?
The IUPAC name of 3-formamido-3-phenylmethoxypropanoic acid (CID 87105674) is 3-formamido-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 3-formamido-3-phenylmethoxypropanoic acid?
The canonical SMILES for 3-formamido-3-phenylmethoxypropanoic acid is O=CNC(CC(=O)O)OCc1ccccc1.
What is the InChIKey of 3-formamido-3-phenylmethoxypropanoic acid?
The InChIKey is JKGHDCKAQSKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-8-12-10(6-11(14)15)16-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-formamido-3-phenylmethoxypropanoic acid?
3-formamido-3-phenylmethoxypropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 87105674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).