ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate

C16H23NO2 — CID 79040702

IUPACethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
SMILESCCCC(Nc1ccc2c(c1)CCC2)C(=O)OCC
InChIInChI=1S/C16H23NO2/c1-3-6-15(16(18)19-4-2)17-14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3
InChIKeySIGIMCUXKSLGRC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.32
Rot. Bonds6

About ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate

ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate (PubChem CID 79040702) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
PubChem CID79040702
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
SMILESCCCC(Nc1ccc2c(c1)CCC2)C(=O)OCC
InChIInChI=1S/C16H23NO2/c1-3-6-15(16(18)19-4-2)17-14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3
InChIKeySIGIMCUXKSLGRC-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-dichloroanilino)pentanoate
CID 83037604
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
CID 125181304
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 2-(3-ethynylanilino)pentanoate
CID 79040775
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate (CID 79040702) is ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate is CCCC(Nc1ccc2c(c1)CCC2)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate?
The InChIKey is SIGIMCUXKSLGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-6-15(16(18)19-4-2)17-14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate?
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate has a molecular weight of 261.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate is sourced from PubChem (CID 79040702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).