5-amino-2-(2-carbamoyloxyethylamino)benzoic acid

C10H13N3O4 — CID 83203951

IUPAC5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
SMILESNC(=O)OCCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H13N3O4/c11-6-1-2-8(7(5-6)9(14)15)13-3-4-17-10(12)16/h1-2,5,13H,3-4,11H2,(H2,12,16)(H,14,15)
InChIKeyXRLYESYFROALAD-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.47
Rot. Bonds5

About 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid

5-amino-2-(2-carbamoyloxyethylamino)benzoic acid (PubChem CID 83203951) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
PubChem CID83203951
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
SMILESNC(=O)OCCNc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H13N3O4/c11-6-1-2-8(7(5-6)9(14)15)13-3-4-17-10(12)16/h1-2,5,13H,3-4,11H2,(H2,12,16)(H,14,15)
InChIKeyXRLYESYFROALAD-UHFFFAOYSA-N
XLogP0.47
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
CID 83203952
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(2-methylsulfanylethylamino)benzoic acid
CID 63961847
5-amino-2-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521856
5-amino-2-(cyclobutylmethylamino)benzoic acid
CID 60989727
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773
2-(2-carbamothioyl-4-fluoroanilino)ethyl carbamate
CID 83205178
5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 60988922
5-amino-2-(2-imidazol-1-ylethylamino)benzoic acid
CID 54951052
propyl 5-amino-2-(propylamino)benzoate
CID 100638070

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid?
The IUPAC name of 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid (CID 83203951) is 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid is NC(=O)OCCNc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid?
The InChIKey is XRLYESYFROALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-6-1-2-8(7(5-6)9(14)15)13-3-4-17-10(12)16/h1-2,5,13H,3-4,11H2,(H2,12,16)(H,14,15).
What are the key properties of 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid?
5-amino-2-(2-carbamoyloxyethylamino)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-carbamoyloxyethylamino)benzoic acid is sourced from PubChem (CID 83203951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).