(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate

C11H13NO4 — CID 154337054

IUPAC(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OC(C)=NO
InChIInChI=1S/C11H13NO4/c1-3-15-10-7-5-4-6-9(10)11(13)16-8(2)12-14/h4-7,14H,3H2,1-2H3
InChIKeyKSTXBPCNCMREKA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.05
Rot. Bonds3

About (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate

(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate (PubChem CID 154337054) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate
PubChem CID154337054
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OC(C)=NO
InChIInChI=1S/C11H13NO4/c1-3-15-10-7-5-4-6-9(10)11(13)16-8(2)12-14/h4-7,14H,3H2,1-2H3
InChIKeyKSTXBPCNCMREKA-UHFFFAOYSA-N
XLogP2.05
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxybenzenecarboperoxoic acid
CID 22314606
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
CID 6250549
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850

Frequently Asked Questions

What is the IUPAC name of (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate?
The IUPAC name of (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate (CID 154337054) is (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate.
What is the SMILES notation for (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate?
The canonical SMILES for (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate is CCOc1ccccc1C(=O)OC(C)=NO.
What is the InChIKey of (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate?
The InChIKey is KSTXBPCNCMREKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-15-10-7-5-4-6-9(10)11(13)16-8(2)12-14/h4-7,14H,3H2,1-2H3.
What are the key properties of (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate?
(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate has a molecular weight of 223.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate is sourced from PubChem (CID 154337054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).