3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid

C14H19NO4 — CID 166125596

IUPAC3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
SMILESCCOc1ccc2c(c1)C(OCCC(=O)O)C(N)C2
InChIInChI=1S/C14H19NO4/c1-2-18-10-4-3-9-7-12(15)14(11(9)8-10)19-6-5-13(16)17/h3-4,8,12,14H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyOOGNPUKAIKBYBM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds6

About 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid

3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid (PubChem CID 166125596) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
PubChem CID166125596
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
SMILESCCOc1ccc2c(c1)C(OCCC(=O)O)C(N)C2
InChIInChI=1S/C14H19NO4/c1-2-18-10-4-3-9-7-12(15)14(11(9)8-10)19-6-5-13(16)17/h3-4,8,12,14H,2,5-7,15H2,1H3,(H,16,17)
InChIKeyOOGNPUKAIKBYBM-UHFFFAOYSA-N
XLogP1.50
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic 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

3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanal;methoxyethane
CID 166125690
ethyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoate
CID 166125940
methyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoate
CID 166125875
4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
3-[(2-amino-7-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125917
2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167179321
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
methyl 4-[(2-amino-7-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]butanoate
CID 166125387
ethyl 2-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125980
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid?
The IUPAC name of 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid (CID 166125596) is 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid is CCOc1ccc2c(c1)C(OCCC(=O)O)C(N)C2.
What is the InChIKey of 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid?
The InChIKey is OOGNPUKAIKBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-18-10-4-3-9-7-12(15)14(11(9)8-10)19-6-5-13(16)17/h3-4,8,12,14H,2,5-7,15H2,1H3,(H,16,17).
What are the key properties of 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid?
3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid is sourced from PubChem (CID 166125596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).