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

C13H17NO2 — CID 166125661

IUPACethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1CC(N)C2
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)7-10-5-3-4-9-6-11(14)8-12(9)10/h3-5,11H,2,6-8,14H2,1H3
InChIKeyOPZKCFLHLZSLRC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.22
Rot. Bonds3

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

ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate (PubChem CID 166125661) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
PubChem CID166125661
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1CC(N)C2
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)7-10-5-3-4-9-6-11(14)8-12(9)10/h3-5,11H,2,6-8,14H2,1H3
InChIKeyOPZKCFLHLZSLRC-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166126168
ethyl 4-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)butanoate
CID 166125748
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 3-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-4-yl)propanoate
CID 167179371
ethyl 5-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125619
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
CID 166125808
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
3-(2-amino-5-methoxy-2,3-dihydro-1H-inden-4-yl)propanoic acid;3-(2-amino-6-methoxy-2,3-dihydro-1H-inden-4-yl)propanoic acid;ethane;ethyl 2-(2-amino-7-methoxy-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125464
ethyl 4-(2-amino-5-methoxy-2,3-dihydro-1H-inden-4-yl)butanoate
CID 167179376
ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 129387633
ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125643

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate (CID 166125661) is ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate is CCOC(=O)Cc1cccc2c1CC(N)C2.
What is the InChIKey of ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate?
The InChIKey is OPZKCFLHLZSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)7-10-5-3-4-9-6-11(14)8-12(9)10/h3-5,11H,2,6-8,14H2,1H3.
What are the key properties of ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate?
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate has a molecular weight of 219.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate is sourced from PubChem (CID 166125661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).