methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate

C12H14N2O5 — CID 108512450

IUPACmethyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H14N2O5/c1-19-12(18)8-4-2-3-5-9(8)14-11(17)10(16)13-6-7-15/h2-5,15H,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyQCCWBAVICVFZBK-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.48
Rot. Bonds4

About methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate (PubChem CID 108512450) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
PubChem CID108512450
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C12H14N2O5/c1-19-12(18)8-4-2-3-5-9(8)14-11(17)10(16)13-6-7-15/h2-5,15H,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyQCCWBAVICVFZBK-UHFFFAOYSA-N
XLogP-0.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(3-methylbutylamino)-2-oxoacetyl]amino]benzoate
CID 108512526
2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid
CID 4026783
methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
methyl 2-[[2-(2-hydroxypropylamino)-2-oxoacetyl]amino]benzoate
CID 108512393
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate (CID 108512450) is methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(=O)NCCO.
What is the InChIKey of methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate?
The InChIKey is QCCWBAVICVFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-12(18)8-4-2-3-5-9(8)14-11(17)10(16)13-6-7-15/h2-5,15H,6-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate has a molecular weight of 266.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).