5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid

C15H19NO5 — CID 47062073

IUPAC5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cccc2c1OCCO2
InChIInChI=1S/C15H19NO5/c1-15(2,9-13(18)19)8-12(17)16-10-4-3-5-11-14(10)21-7-6-20-11/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyATIIQUZGGONVKN-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.29
Rot. Bonds5

About 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 47062073) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID47062073
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cccc2c1OCCO2
InChIInChI=1S/C15H19NO5/c1-15(2,9-13(18)19)8-12(17)16-10-4-3-5-11-14(10)21-7-6-20-11/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyATIIQUZGGONVKN-UHFFFAOYSA-N
XLogP2.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 56816667
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
CID 21228924
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077609
3,3-dimethyl-5-oxo-5-(2-propylanilino)pentanoic acid
CID 62935245
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114
5-(3,3-dimethylbutanoylamino)-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
CID 69463309
N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-5-amine;hydrochloride
CID 115587292
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 47064346

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 47062073) is 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)Nc1cccc2c1OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is ATIIQUZGGONVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,9-13(18)19)8-12(17)16-10-4-3-5-11-14(10)21-7-6-20-11/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 47062073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).