3-(2-amino-6-methoxybenzoyl)oxypropanoic acid

C11H13NO5 — CID 81414041

IUPAC3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
SMILESCOc1cccc(N)c1C(=O)OCCC(=O)O
InChIInChI=1S/C11H13NO5/c1-16-8-4-2-3-7(12)10(8)11(15)17-6-5-9(13)14/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyPOQYFQFFJHCZCN-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.91
Rot. Bonds5

About 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid

3-(2-amino-6-methoxybenzoyl)oxypropanoic acid (PubChem CID 81414041) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid.

Molecular Properties

Compound Name3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
PubChem CID81414041
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
SMILESCOc1cccc(N)c1C(=O)OCCC(=O)O
InChIInChI=1S/C11H13NO5/c1-16-8-4-2-3-7(12)10(8)11(15)17-6-5-9(13)14/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyPOQYFQFFJHCZCN-UHFFFAOYSA-N
XLogP0.91
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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'}

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Related Compounds

2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
3-(2,2,2-trifluoroethoxy)propyl 2-amino-6-methoxybenzoate
CID 81395083
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
thiophen-3-ylmethyl 2-amino-6-methoxybenzoate
CID 81414459
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
CID 81414208
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid?
The IUPAC name of 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid (CID 81414041) is 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid.
What is the SMILES notation for 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid?
The canonical SMILES for 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid is COc1cccc(N)c1C(=O)OCCC(=O)O.
What is the InChIKey of 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid?
The InChIKey is POQYFQFFJHCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-16-8-4-2-3-7(12)10(8)11(15)17-6-5-9(13)14/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid?
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methoxybenzoyl)oxypropanoic acid is sourced from PubChem (CID 81414041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).