methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate

C11H14N2O5 — CID 54915146

IUPACmethyl 2-[2-(4-nitrophenoxy)ethylamino]acetate
SMILESCOC(=O)CNCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O5/c1-17-11(14)8-12-6-7-18-10-4-2-9(3-5-10)13(15)16/h2-5,12H,6-8H2,1H3
InChIKeyLQPZRMBHISJPHW-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.74
Rot. Bonds7

About methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate

methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate (PubChem CID 54915146) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-nitrophenoxy)ethylamino]acetate
PubChem CID54915146
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-[2-(4-nitrophenoxy)ethylamino]acetate
SMILESCOC(=O)CNCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O5/c1-17-11(14)8-12-6-7-18-10-4-2-9(3-5-10)13(15)16/h2-5,12H,6-8H2,1H3
InChIKeyLQPZRMBHISJPHW-UHFFFAOYSA-N
XLogP0.74
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
N-(2-methylsulfanylethyl)-2-(4-nitrophenoxy)ethanamine
CID 63965329
3-(4-nitrophenoxy)propanoate
CID 6993075
2,2-difluoro-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 113303726
2-methyl-N-[2-(4-nitrophenoxy)ethyl]butan-1-amine
CID 62692225
N-[(1-methylcyclopentyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 63823349
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
methyl 4-[3-(4-nitroanilino)propoxy]benzoate
CID 14882823
acetyl 3-(4-nitrophenoxy)propanoate
CID 174384250
N-[(5-methylthiophen-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 62056067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate (CID 54915146) is methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate is COC(=O)CNCCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate?
The InChIKey is LQPZRMBHISJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-11(14)8-12-6-7-18-10-4-2-9(3-5-10)13(15)16/h2-5,12H,6-8H2,1H3.
What are the key properties of methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate?
methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate has a molecular weight of 254.24 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-nitrophenoxy)ethylamino]acetate is sourced from PubChem (CID 54915146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).