methyl 2-anilinooxycarbonyloxypropanoate

C11H13NO5 — CID 134425332

IUPACmethyl 2-anilinooxycarbonyloxypropanoate
SMILESCOC(=O)C(C)OC(=O)ONc1ccccc1
InChIInChI=1S/C11H13NO5/c1-8(10(13)15-2)16-11(14)17-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyPZBYVIJNPVYIFC-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-anilinooxycarbonyloxypropanoate

methyl 2-anilinooxycarbonyloxypropanoate (PubChem CID 134425332) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-anilinooxycarbonyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-anilinooxycarbonyloxypropanoate
PubChem CID134425332
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-anilinooxycarbonyloxypropanoate
SMILESCOC(=O)C(C)OC(=O)ONc1ccccc1
InChIInChI=1S/C11H13NO5/c1-8(10(13)15-2)16-11(14)17-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyPZBYVIJNPVYIFC-UHFFFAOYSA-N
XLogP1.73
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-anilinooxycarbonyloxypropanoate 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

anilino propan-2-yl carbonate
CID 167181374
(2S)-3-anilinooxy-2-methyl-3-oxopropanoate
CID 6931517
methyl 2-anilinopropanoate
CID 3417283
acetic acid;N-methoxyaniline
CID 174899473
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
benzene;N-methoxyaniline
CID 159505017
methyl 2-[benzyl(tert-butyl)phosphanyl]carbonyloxypropanoate
CID 23414310
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl (2R)-2-anilinobutanoate
CID 51891380
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
isocyanic acid;N-methoxyaniline
CID 172774828

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilinooxycarbonyloxypropanoate?
The IUPAC name of methyl 2-anilinooxycarbonyloxypropanoate (CID 134425332) is methyl 2-anilinooxycarbonyloxypropanoate.
What is the SMILES notation for methyl 2-anilinooxycarbonyloxypropanoate?
The canonical SMILES for methyl 2-anilinooxycarbonyloxypropanoate is COC(=O)C(C)OC(=O)ONc1ccccc1.
What is the InChIKey of methyl 2-anilinooxycarbonyloxypropanoate?
The InChIKey is PZBYVIJNPVYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-8(10(13)15-2)16-11(14)17-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3.
What are the key properties of methyl 2-anilinooxycarbonyloxypropanoate?
methyl 2-anilinooxycarbonyloxypropanoate has a molecular weight of 239.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilinooxycarbonyloxypropanoate is sourced from PubChem (CID 134425332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).