3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid

C14H19NO3 — CID 166125970

IUPAC3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESCCOc1cccc2c1CC(N)C2CCC(=O)O
InChIInChI=1S/C14H19NO3/c1-2-18-13-5-3-4-9-10(6-7-14(16)17)12(15)8-11(9)13/h3-5,10,12H,2,6-8,15H2,1H3,(H,16,17)
InChIKeyIKEIZYOPPVYZNM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds5

About 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid

3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid (PubChem CID 166125970) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
PubChem CID166125970
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESCCOc1cccc2c1CC(N)C2CCC(=O)O
InChIInChI=1S/C14H19NO3/c1-2-18-13-5-3-4-9-10(6-7-14(16)17)12(15)8-11(9)13/h3-5,10,12H,2,6-8,15H2,1H3,(H,16,17)
InChIKeyIKEIZYOPPVYZNM-UHFFFAOYSA-N
XLogP1.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)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

4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 166125977
3-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125462
4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
5-ethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66010331
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
2-[2-amino-7-[2-[[2-amino-1-(2-oxoethyl)-2,3-dihydro-1H-inden-4-yl]oxy]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde
CID 166125896
3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
2-amino-5-ethoxy-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 69109997
2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
CID 173335442
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 154972525

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid (CID 166125970) is 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid is CCOc1cccc2c1CC(N)C2CCC(=O)O.
What is the InChIKey of 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The InChIKey is IKEIZYOPPVYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-13-5-3-4-9-10(6-7-14(16)17)12(15)8-11(9)13/h3-5,10,12H,2,6-8,15H2,1H3,(H,16,17).
What are the key properties of 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid is sourced from PubChem (CID 166125970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).