2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid

C11H13NO5 — CID 106955759

IUPAC2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
SMILESCOC(=O)c1cc(N)ccc1OC(C)C(=O)O
InChIInChI=1S/C11H13NO5/c1-6(10(13)14)17-9-4-3-7(12)5-8(9)11(15)16-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyMMZZMLLKMUQTAR-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.91
Rot. Bonds4

About 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid

2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid (PubChem CID 106955759) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
PubChem CID106955759
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
SMILESCOC(=O)c1cc(N)ccc1OC(C)C(=O)O
InChIInChI=1S/C11H13NO5/c1-6(10(13)14)17-9-4-3-7(12)5-8(9)11(15)16-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyMMZZMLLKMUQTAR-UHFFFAOYSA-N
XLogP0.91
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid 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

methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
methyl 5-amino-2-(1-phenylethoxy)benzoate
CID 61306335
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
CID 106955156
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
methyl 5-amino-2-iodooxybenzoate
CID 170212136
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 5-amino-2-heptoxybenzoate
CID 61306699
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid?
The IUPAC name of 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid (CID 106955759) is 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid is COC(=O)c1cc(N)ccc1OC(C)C(=O)O.
What is the InChIKey of 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid?
The InChIKey is MMZZMLLKMUQTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6(10(13)14)17-9-4-3-7(12)5-8(9)11(15)16-2/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid?
2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid is sourced from PubChem (CID 106955759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).