5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid

C16H23NO3 — CID 166126182

IUPAC5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
SMILESCCOc1cc(CCCCC(=O)O)cc2c1CC(N)C2
InChIInChI=1S/C16H23NO3/c1-2-20-15-8-11(5-3-4-6-16(18)19)7-12-9-13(17)10-14(12)15/h7-8,13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyYDAQGVTWTWBYSJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.31
Rot. Bonds7

About 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid

5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid (PubChem CID 166126182) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
PubChem CID166126182
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
SMILESCCOc1cc(CCCCC(=O)O)cc2c1CC(N)C2
InChIInChI=1S/C16H23NO3/c1-2-20-15-8-11(5-3-4-6-16(18)19)7-12-9-13(17)10-14(12)15/h7-8,13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyYDAQGVTWTWBYSJ-UHFFFAOYSA-N
XLogP2.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 166126162
ethyl 4-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanoate
CID 166125629
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
7-amino-4-ethoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725922
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125643
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
ethyl 3-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-4-yl)propanoate
CID 167179371
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
CID 82260210
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid?
The IUPAC name of 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid (CID 166126182) is 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid.
What is the SMILES notation for 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid?
The canonical SMILES for 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid is CCOc1cc(CCCCC(=O)O)cc2c1CC(N)C2.
What is the InChIKey of 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid?
The InChIKey is YDAQGVTWTWBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-15-8-11(5-3-4-6-16(18)19)7-12-9-13(17)10-14(12)15/h7-8,13H,2-6,9-10,17H2,1H3,(H,18,19).
What are the key properties of 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid?
5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid is sourced from PubChem (CID 166126182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).