ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate

C17H25NO3 — CID 54113482

IUPACethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2c(c1)C[C@@H](N)CC2
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)5-3-4-10-21-16-9-7-13-6-8-15(18)11-14(13)12-16/h7,9,12,15H,2-6,8,10-11,18H2,1H3/t15-/m0/s1
InChIKeyNISFZBMGKDPPMJ-HNNXBMFYSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds7

About ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate

ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate (PubChem CID 54113482) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate.

Molecular Properties

Compound Nameethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
PubChem CID54113482
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2c(c1)C[C@@H](N)CC2
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)5-3-4-10-21-16-9-7-13-6-8-15(18)11-14(13)12-16/h7,9,12,15H,2-6,8,10-11,18H2,1H3/t15-/m0/s1
InChIKeyNISFZBMGKDPPMJ-HNNXBMFYSA-N
XLogP2.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.61
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 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
CID 67822342
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
CID 115510557
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
CID 167218753
ethyl 5-(2-amino-6-propoxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125643
ethyl 4-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanoate
CID 166125629
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
3-[5-(5-ethoxy-5-oxopentoxy)-2-hydroxyphenyl]propanoic acid
CID 19921943

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate?
The IUPAC name of ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate (CID 54113482) is ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate.
What is the SMILES notation for ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate?
The canonical SMILES for ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate is CCOC(=O)CCCCOc1ccc2c(c1)C[C@@H](N)CC2.
What is the InChIKey of ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate?
The InChIKey is NISFZBMGKDPPMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-20-17(19)5-3-4-10-21-16-9-7-13-6-8-15(18)11-14(13)12-16/h7,9,12,15H,2-6,8,10-11,18H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate?
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate has a molecular weight of 291.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate is sourced from PubChem (CID 54113482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).