ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate

C15H21NO2 — CID 54927474

IUPACethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCCOC(=O)CCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)9-8-14(16)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9,16H2,1H3
InChIKeyFZSQWVROGBARLL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds5

About ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate

ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate (PubChem CID 54927474) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
PubChem CID54927474
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCCOC(=O)CCC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)9-8-14(16)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9,16H2,1H3
InChIKeyFZSQWVROGBARLL-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
ethyl 4-amino-4-(3-bromo-4-ethoxyphenyl)butanoate
CID 104658343
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The IUPAC name of ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate (CID 54927474) is ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate.
What is the SMILES notation for ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The canonical SMILES for ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate is CCOC(=O)CCC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The InChIKey is FZSQWVROGBARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)9-8-14(16)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9,16H2,1H3.
What are the key properties of ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate has a molecular weight of 247.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate is sourced from PubChem (CID 54927474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).