phenyl (2S)-2-formamido-3-methoxypropanoate

C11H13NO4 — CID 101011313

IUPACphenyl (2S)-2-formamido-3-methoxypropanoate
SMILESCOC[C@H](NC=O)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO4/c1-15-7-10(12-8-13)11(14)16-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyZSIWFJTYASGKLZ-JTQLQIEISA-N
MW223.23 g/mol
LogP0.35
Rot. Bonds6

About phenyl (2S)-2-formamido-3-methoxypropanoate

phenyl (2S)-2-formamido-3-methoxypropanoate (PubChem CID 101011313) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is phenyl (2S)-2-formamido-3-methoxypropanoate.

Molecular Properties

Compound Namephenyl (2S)-2-formamido-3-methoxypropanoate
PubChem CID101011313
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namephenyl (2S)-2-formamido-3-methoxypropanoate
SMILESCOC[C@H](NC=O)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO4/c1-15-7-10(12-8-13)11(14)16-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyZSIWFJTYASGKLZ-JTQLQIEISA-N
XLogP0.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl (2S)-2-formamido-3-methoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
[2-(Cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535304
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 24686871
N-(phenoxyacetyl)glycine
CID 300109
2-(2-Phenoxyacetamido)propanoic acid
CID 2787611
Methyl N-(phenoxycarbonyl)-L-valinate
CID 60952
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535329
[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2401739
Methyl 2-(2-phenoxyacetylamino)acetate
CID 1572068
(3S,4S)-4-acetoxy-3-phenoxyacetamido-2-oxoazetidine
CID 11821934

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-formamido-3-methoxypropanoate?
The IUPAC name of phenyl (2S)-2-formamido-3-methoxypropanoate (CID 101011313) is phenyl (2S)-2-formamido-3-methoxypropanoate.
What is the SMILES notation for phenyl (2S)-2-formamido-3-methoxypropanoate?
The canonical SMILES for phenyl (2S)-2-formamido-3-methoxypropanoate is COC[C@H](NC=O)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-2-formamido-3-methoxypropanoate?
The InChIKey is ZSIWFJTYASGKLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-7-10(12-8-13)11(14)16-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of phenyl (2S)-2-formamido-3-methoxypropanoate?
phenyl (2S)-2-formamido-3-methoxypropanoate has a molecular weight of 223.23 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-formamido-3-methoxypropanoate is sourced from PubChem (CID 101011313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).