(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate

C9H8Cl2N2O3 — CID 2389454

IUPAC(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
SMILESNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H8Cl2N2O3/c10-4-1-5(8(13)6(11)2-4)9(15)16-3-7(12)14/h1-2H,3,13H2,(H2,12,14)
InChIKeyKUWZQLYBZPVLON-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.22
Rot. Bonds3

About (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate

(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate (PubChem CID 2389454) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
PubChem CID2389454
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
SMILESNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H8Cl2N2O3/c10-4-1-5(8(13)6(11)2-4)9(15)16-3-7(12)14/h1-2H,3,13H2,(H2,12,14)
InChIKeyKUWZQLYBZPVLON-UHFFFAOYSA-N
XLogP1.22
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-amino-5-chlorobenzoate
CID 78878
Benzoic acid, 2-amino-3-chloro-, methyl ester
CID 11030511
[2-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2095375
Methyl 3,5-dichloro-2-(2-chloroacetamido)benzoate
CID 25323874
Methyl 2-amino-3,5-dichlorobenzoate
CID 613050
[2-[(2-Methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2106737
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2371635

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate (CID 2389454) is (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate is NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The InChIKey is KUWZQLYBZPVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-4-1-5(8(13)6(11)2-4)9(15)16-3-7(12)14/h1-2H,3,13H2,(H2,12,14).
What are the key properties of (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
(2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate has a molecular weight of 263.08 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2389454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).