methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate

C17H19NO3 — CID 114939383

IUPACmethyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO3/c1-20-16(19)10-21-9-15(18)13-8-7-12-6-5-11-3-2-4-14(13)17(11)12/h2-4,7-8,15H,5-6,9-10,18H2,1H3
InChIKeyHUEKLUQKHNYLLX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate

methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate (PubChem CID 114939383) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
PubChem CID114939383
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO3/c1-20-16(19)10-21-9-15(18)13-8-7-12-6-5-11-3-2-4-14(13)17(11)12/h2-4,7-8,15H,5-6,9-10,18H2,1H3
InChIKeyHUEKLUQKHNYLLX-UHFFFAOYSA-N
XLogP2.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
methyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170501790
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3,4,5-trimethoxybenzamide
CID 3969876
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
CID 114939189
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
ethyl 2-amino-3-(1,2-dihydroacenaphthylen-5-yl)propanoate
CID 170885141

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate (CID 114939383) is methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate is COC(=O)COCC(N)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate?
The InChIKey is HUEKLUQKHNYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16(19)10-21-9-15(18)13-8-7-12-6-5-11-3-2-4-14(13)17(11)12/h2-4,7-8,15H,5-6,9-10,18H2,1H3.
What are the key properties of methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate?
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate has a molecular weight of 285.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate is sourced from PubChem (CID 114939383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).