ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate

C15H21NO2 — CID 114009131

IUPACethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
SMILESCCOC(=O)CC(C)NC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)8-11(2)16-14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyUULXXTHCZQMKNC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds5

About ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate

ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate (PubChem CID 114009131) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
PubChem CID114009131
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
SMILESCCOC(=O)CC(C)NC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)8-11(2)16-14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyUULXXTHCZQMKNC-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
CID 171725944
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
CID 107853772
N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 104537653
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
(2S)-2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]amino]propanoic acid
CID 54203431
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate (CID 114009131) is ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate is CCOC(=O)CC(C)NC1Cc2ccccc2C1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate?
The InChIKey is UULXXTHCZQMKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15(17)8-11(2)16-14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate?
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate has a molecular weight of 247.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate is sourced from PubChem (CID 114009131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).