2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid

C10H11N3O5 — CID 113497358

IUPAC2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
SMILESNC(=O)NC(=O)COc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C10H11N3O5/c11-7-3-5(1-2-6(7)9(15)16)18-4-8(14)13-10(12)17/h1-3H,4,11H2,(H,15,16)(H3,12,13,14,17)
InChIKeyVGXYMQZZNZBBES-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.46
Rot. Bonds4

About 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid

2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid (PubChem CID 113497358) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
PubChem CID113497358
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
SMILESNC(=O)NC(=O)COc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C10H11N3O5/c11-7-3-5(1-2-6(7)9(15)16)18-4-8(14)13-10(12)17/h1-3H,4,11H2,(H,15,16)(H3,12,13,14,17)
InChIKeyVGXYMQZZNZBBES-UHFFFAOYSA-N
XLogP-0.46
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide
CID 62113951
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135
4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66437104
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
2-amino-6-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 107341680
2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 107076873

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid (CID 113497358) is 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid is NC(=O)NC(=O)COc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is VGXYMQZZNZBBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c11-7-3-5(1-2-6(7)9(15)16)18-4-8(14)13-10(12)17/h1-3H,4,11H2,(H,15,16)(H3,12,13,14,17).
What are the key properties of 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 253.21 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 113497358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).