ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate

C17H19NO2 — CID 170885141

IUPACethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)15(18)10-13-9-8-12-7-6-11-4-3-5-14(13)16(11)12/h3-5,8-9,15H,2,6-7,10,18H2,1H3
InChIKeyUOWCYQJYWMRGQA-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.37
Rot. Bonds4

About ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate

ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate (PubChem CID 170885141) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate
PubChem CID170885141
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)15(18)10-13-9-8-12-7-6-11-4-3-5-14(13)16(11)12/h3-5,8-9,15H,2,6-7,10,18H2,1H3
InChIKeyUOWCYQJYWMRGQA-UHFFFAOYSA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate (CID 170885141) is ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate is CCOC(=O)C(N)Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate?
The InChIKey is UOWCYQJYWMRGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)15(18)10-13-9-8-12-7-6-11-4-3-5-14(13)16(11)12/h3-5,8-9,15H,2,6-7,10,18H2,1H3.
What are the key properties of ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate?
ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate is sourced from PubChem (CID 170885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).