4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid

C15H21NO3 — CID 166126162

IUPAC4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESCCOc1cc2c(cc1CCCC(=O)O)CC(N)C2
InChIInChI=1S/C15H21NO3/c1-2-19-14-9-12-8-13(16)7-11(12)6-10(14)4-3-5-15(17)18/h6,9,13H,2-5,7-8,16H2,1H3,(H,17,18)
InChIKeyDAQGCZGOXIUUFG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds6

About 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid

4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid (PubChem CID 166126162) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
PubChem CID166126162
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESCCOc1cc2c(cc1CCCC(=O)O)CC(N)C2
InChIInChI=1S/C15H21NO3/c1-2-19-14-9-12-8-13(16)7-11(12)6-10(14)4-3-5-15(17)18/h6,9,13H,2-5,7-8,16H2,1H3,(H,17,18)
InChIKeyDAQGCZGOXIUUFG-UHFFFAOYSA-N
XLogP1.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
CID 166126182
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
CID 166125448
4-(2-bromo-4,5-diethoxyphenyl)butanoic acid
CID 43330604
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
4-[(6-hexyl-3-nitroso-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 90688145
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
7-amino-4-ethoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725922
ethyl 3-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-4-yl)propanoate
CID 167179371
3-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 166125565

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The IUPAC name of 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid (CID 166126162) is 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid.
What is the SMILES notation for 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The canonical SMILES for 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid is CCOc1cc2c(cc1CCCC(=O)O)CC(N)C2.
What is the InChIKey of 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The InChIKey is DAQGCZGOXIUUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-14-9-12-8-13(16)7-11(12)6-10(14)4-3-5-15(17)18/h6,9,13H,2-5,7-8,16H2,1H3,(H,17,18).
What are the key properties of 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid is sourced from PubChem (CID 166126162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).