2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate

C10H11NO4 — CID 154139708

IUPAC2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)ON
InChIInChI=1S/C10H11NO4/c1-2-14-9(12)7-5-3-4-6-8(7)10(13)15-11/h3-6H,2,11H2,1H3
InChIKeyYTEUITHGJYWVJX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.89
Rot. Bonds3

About 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate

2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate (PubChem CID 154139708) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
PubChem CID154139708
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccccc1C(=O)ON
InChIInChI=1S/C10H11NO4/c1-2-14-9(12)7-5-3-4-6-8(7)10(13)15-11/h3-6H,2,11H2,1H3
InChIKeyYTEUITHGJYWVJX-UHFFFAOYSA-N
XLogP0.89
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
ethyl 2-cyclopropylbenzoate
CID 118105330
CID 89246806
CID 89246806
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-(N'-hydroxycarbamimidoyl)benzoate
CID 86745772

Frequently Asked Questions

What is the IUPAC name of 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate (CID 154139708) is 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate is CCOC(=O)c1ccccc1C(=O)ON.
What is the InChIKey of 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate?
The InChIKey is YTEUITHGJYWVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-14-9(12)7-5-3-4-6-8(7)10(13)15-11/h3-6H,2,11H2,1H3.
What are the key properties of 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate?
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 154139708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).