(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate

C11H9Cl2NO4 — CID 113247935

IUPAC(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate
SMILESNc1cc(Cl)c(Cl)c(C(=O)OC2CCOC2=O)c1
InChIInChI=1S/C11H9Cl2NO4/c12-7-4-5(14)3-6(9(7)13)10(15)18-8-1-2-17-11(8)16/h3-4,8H,1-2,14H2
InChIKeyBXZVCOVIDZJXSE-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.05
Rot. Bonds2

About (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate

(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate (PubChem CID 113247935) has the molecular formula C11H9Cl2NO4 and a molecular weight of 290.10 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate
PubChem CID113247935
Molecular FormulaC11H9Cl2NO4
Molecular Weight290.10 g/mol
Exact Mass288.99
IUPAC Name(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate
SMILESNc1cc(Cl)c(Cl)c(C(=O)OC2CCOC2=O)c1
InChIInChI=1S/C11H9Cl2NO4/c12-7-4-5(14)3-6(9(7)13)10(15)18-8-1-2-17-11(8)16/h3-4,8H,1-2,14H2
InChIKeyBXZVCOVIDZJXSE-UHFFFAOYSA-N
XLogP2.05
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-chlorobenzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester
CID 10968509
Methyl 5-amino-2,3-dichlorobenzoate
CID 53951717
Isopropyl 5-amino-2-chlorobenzoate
CID 369590
Phenacyl 6-amino-2,3-dichlorobenzoate
CID 11324772
Ethyl 2-(5-amino-2-chloro-4-fluoro-benzoyloxy)-2-methylpropionate
CID 14256908
Ethyl 2-(2-chloro-4-fluoro-5-aminobenzoyl)oxy-3-methyl-3-butenoate
CID 21189420
(2-Methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 5-amino-2-chloro-4-fluorobenzoate
CID 54175583
[(2S)-1-ethoxy-1-oxopropan-2-yl] 5-amino-2-chloro-4-fluorobenzoate
CID 162517092
(1-Ethoxy-1-oxopropan-2-yl) 5-amino-2-chloro-4-fluorobenzoate
CID 166916199
(2-Ethoxy-2-oxoethyl) 5-amino-2-chloro-4-fluorobenzoate
CID 169735900
[1-(2-Methoxyethoxy)-2-methyl-1-oxopropan-2-yl] 5-amino-2-chloro-4-fluorobenzoate
CID 170760577
Ethyl 3-amino-2,5-dichlorobenzoate
CID 18994119

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate?
The IUPAC name of (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate (CID 113247935) is (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate is Nc1cc(Cl)c(Cl)c(C(=O)OC2CCOC2=O)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate?
The InChIKey is BXZVCOVIDZJXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO4/c12-7-4-5(14)3-6(9(7)13)10(15)18-8-1-2-17-11(8)16/h3-4,8H,1-2,14H2.
What are the key properties of (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate?
(2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate has a molecular weight of 290.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 5-amino-2,3-dichlorobenzoate is sourced from PubChem (CID 113247935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).