4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid

C14H19NO4 — CID 166125815

IUPAC4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
SMILESCOc1cc2c(cc1OCCCC(=O)O)CC(N)C2
InChIInChI=1S/C14H19NO4/c1-18-12-7-9-5-11(15)6-10(9)8-13(12)19-4-2-3-14(16)17/h7-8,11H,2-6,15H2,1H3,(H,16,17)
InChIKeyOBGOJABNOOGRNU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds6

About 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid

4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid (PubChem CID 166125815) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
PubChem CID166125815
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
SMILESCOc1cc2c(cc1OCCCC(=O)O)CC(N)C2
InChIInChI=1S/C14H19NO4/c1-18-12-7-9-5-11(15)6-10(9)8-13(12)19-4-2-3-14(16)17/h7-8,11H,2-6,15H2,1H3,(H,16,17)
InChIKeyOBGOJABNOOGRNU-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic 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-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 166126162
4-[[(6aS)-2-methoxy-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[1,2-b][2]benzazepin-3-yl]oxy]butanoic acid
CID 158886662
4-(7-methoxy-2-oxochromen-6-yl)oxybutanoic acid
CID 54430844
4-(5-amino-2,3-dimethoxyphenoxy)butanoic acid;hydrochloride
CID 159677080
4-[4-(aminomethyl)-3,5-dimethoxyphenoxy]butanoic acid
CID 68627883
4-[4-(aminomethyl)-2-methoxy-5-nitrophenoxy]butanoic acid
CID 91418392
methyl 5-methoxy-6-propoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 15893367
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
methyl 4-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 166125883
5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
CID 166126182
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
CID 166125448

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid?
The IUPAC name of 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid (CID 166125815) is 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid.
What is the SMILES notation for 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid?
The canonical SMILES for 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid is COc1cc2c(cc1OCCCC(=O)O)CC(N)C2.
What is the InChIKey of 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid?
The InChIKey is OBGOJABNOOGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-7-9-5-11(15)6-10(9)8-13(12)19-4-2-3-14(16)17/h7-8,11H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid?
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid is sourced from PubChem (CID 166125815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).