methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate

C15H21NO2 — CID 115232486

IUPACmethyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-10-16-9-7-12-5-6-13-3-2-4-14(13)11-12/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyYLRYSLPTNNUXOH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.87
Rot. Bonds6

About methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate

methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate (PubChem CID 115232486) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
PubChem CID115232486
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-18-15(17)8-10-16-9-7-12-5-6-13-3-2-4-14(13)11-12/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyYLRYSLPTNNUXOH-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoate
CID 43242662
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115219521
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 115240823
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
methyl 3-[2-(4-ethylsulfanylphenyl)ethylamino]propanoate
CID 115232521
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate (CID 115232486) is methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate is COC(=O)CCNCCc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate?
The InChIKey is YLRYSLPTNNUXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)8-10-16-9-7-12-5-6-13-3-2-4-14(13)11-12/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate?
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate has a molecular weight of 247.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate is sourced from PubChem (CID 115232486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).