3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

C12H15N3O4 — CID 107077632

IUPAC3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESNc1cccc(C(=O)O)c1OCCN1CCNC1=O
InChIInChI=1S/C12H15N3O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7,13H2,(H,14,18)(H,16,17)
InChIKeyKBTABYGJKORBDW-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.37
Rot. Bonds5

About 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (PubChem CID 107077632) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
PubChem CID107077632
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESNc1cccc(C(=O)O)c1OCCN1CCNC1=O
InChIInChI=1S/C12H15N3O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7,13H2,(H,14,18)(H,16,17)
InChIKeyKBTABYGJKORBDW-UHFFFAOYSA-N
XLogP0.37
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 112612045
3-amino-2-(3-fluoropropoxy)benzoic acid
CID 107077492
5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 115961943
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856
3-amino-2-pentoxybenzoic acid
CID 112579762
3-amino-2-(4-cyanobutoxy)benzoic acid
CID 107077586
1-[2-[1-(aminomethyl)naphthalen-2-yl]oxyethyl]imidazolidin-2-one
CID 43505471
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
1-[2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]ethyl]imidazolidin-2-one
CID 63091226
2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
CID 61321753
3-amino-2-(4-methoxy-4-oxobutoxy)benzoic acid
CID 107077334

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (CID 107077632) is 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is Nc1cccc(C(=O)O)c1OCCN1CCNC1=O.
What is the InChIKey of 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is KBTABYGJKORBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7,13H2,(H,14,18)(H,16,17).
What are the key properties of 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 107077632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).