ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate

C19H29NO3 — CID 166125643

IUPACethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
SMILESCCCOc1cc(CCCCC(=O)OCC)c2c(c1)CC(N)C2
InChIInChI=1S/C19H29NO3/c1-3-9-23-17-11-14(7-5-6-8-19(21)22-4-2)18-13-16(20)10-15(18)12-17/h11-12,16H,3-10,13,20H2,1-2H3
InChIKeyHBUYGLXQZPWSTH-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.18
Rot. Bonds9

About ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate

ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate (PubChem CID 166125643) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
PubChem CID166125643
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nameethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
SMILESCCCOc1cc(CCCCC(=O)OCC)c2c(c1)CC(N)C2
InChIInChI=1S/C19H29NO3/c1-3-9-23-17-11-14(7-5-6-8-19(21)22-4-2)18-13-16(20)10-15(18)12-17/h11-12,16H,3-10,13,20H2,1-2H3
InChIKeyHBUYGLXQZPWSTH-UHFFFAOYSA-N
XLogP3.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanoate
CID 166125629
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 5-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125619
ethyl 4-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)butanoate
CID 166125748
methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166126168
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125661
5-(2-amino-7-ethoxy-2,3-dihydro-1H-inden-5-yl)pentanoic acid
CID 166126182
ethyl 4-(2-amino-5-methoxy-2,3-dihydro-1H-inden-4-yl)butanoate
CID 167179376
ethyl 4-[(2-amino-7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]butanoate
CID 166125946
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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate?
The IUPAC name of ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate (CID 166125643) is ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate.
What is the SMILES notation for ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate?
The canonical SMILES for ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate is CCCOc1cc(CCCCC(=O)OCC)c2c(c1)CC(N)C2.
What is the InChIKey of ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate?
The InChIKey is HBUYGLXQZPWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-9-23-17-11-14(7-5-6-8-19(21)22-4-2)18-13-16(20)10-15(18)12-17/h11-12,16H,3-10,13,20H2,1-2H3.
What are the key properties of ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate?
ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate has a molecular weight of 319.45 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate is sourced from PubChem (CID 166125643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).