2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid

C12H16N2O4 — CID 107341681

IUPAC2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
SMILESCC(C)NC(=O)COc1cccc(N)c1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(2)14-10(15)6-18-9-5-3-4-8(13)11(9)12(16)17/h3-5,7H,6,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDIDRCZQIIVTOIU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds5

About 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid

2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid (PubChem CID 107341681) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
PubChem CID107341681
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
SMILESCC(C)NC(=O)COc1cccc(N)c1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(2)14-10(15)6-18-9-5-3-4-8(13)11(9)12(16)17/h3-5,7H,6,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDIDRCZQIIVTOIU-UHFFFAOYSA-N
XLogP0.87
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.87
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

2-amino-6-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 107341680
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
CID 107341945

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid?
The IUPAC name of 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid (CID 107341681) is 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid is CC(C)NC(=O)COc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid?
The InChIKey is DIDRCZQIIVTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(2)14-10(15)6-18-9-5-3-4-8(13)11(9)12(16)17/h3-5,7H,6,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid?
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid is sourced from PubChem (CID 107341681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).