2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid

C11H12N2O5 — CID 4026783

IUPAC2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid
SMILESO=C(NCCO)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c14-6-5-12-9(15)10(16)13-8-4-2-1-3-7(8)11(17)18/h1-4,14H,5-6H2,(H,12,15)(H,13,16)(H,17,18)
InChIKeyUWSYMQDGFUESJS-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.57
Rot. Bonds4

About 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid

2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid (PubChem CID 4026783) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid
PubChem CID4026783
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid
SMILESO=C(NCCO)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c14-6-5-12-9(15)10(16)13-8-4-2-1-3-7(8)11(17)18/h1-4,14H,5-6H2,(H,12,15)(H,13,16)(H,17,18)
InChIKeyUWSYMQDGFUESJS-UHFFFAOYSA-N
XLogP-0.57
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
CID 108524213
2-[[2-[[(2R)-2-aminopropyl]amino]-2-oxoacetyl]amino]benzoic acid
CID 139060617
N'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
2-[2-(2-methylprop-2-enoylamino)ethylcarbamoylamino]benzoic acid
CID 20608041
CID 170843062
CID 170843062
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
methyl 2-[[2-(3-methylbutylamino)-2-oxoacetyl]amino]benzoate
CID 108512526
2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
2-(prop-2-enylcarbamothioylamino)benzoic acid
CID 71353597
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid (CID 4026783) is 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid is O=C(NCCO)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid?
The InChIKey is UWSYMQDGFUESJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-6-5-12-9(15)10(16)13-8-4-2-1-3-7(8)11(17)18/h1-4,14H,5-6H2,(H,12,15)(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid?
2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid has a molecular weight of 252.23 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid is sourced from PubChem (CID 4026783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).