ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate

C10H19NO3 — CID 25219166

IUPACethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate
SMILESCCOC(=O)C/N=C(\OCC)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-13-9(12)7-11-10(8(3)4)14-6-2/h8H,5-7H2,1-4H3/b11-10-
InChIKeyAEDOKNSOQOBISE-KHPPLWFESA-N
MW201.27 g/mol
LogP1.64
Rot. Bonds5

About ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate

ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate (PubChem CID 25219166) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate
PubChem CID25219166
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate
SMILESCCOC(=O)C/N=C(\OCC)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-13-9(12)7-11-10(8(3)4)14-6-2/h8H,5-7H2,1-4H3/b11-10-
InChIKeyAEDOKNSOQOBISE-KHPPLWFESA-N
XLogP1.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate?
The IUPAC name of ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate (CID 25219166) is ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate is CCOC(=O)C/N=C(\OCC)C(C)C.
What is the InChIKey of ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate?
The InChIKey is AEDOKNSOQOBISE-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-9(12)7-11-10(8(3)4)14-6-2/h8H,5-7H2,1-4H3/b11-10-.
What are the key properties of ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate?
ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate has a molecular weight of 201.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethoxy-2-methylpropylidene)amino]acetate is sourced from PubChem (CID 25219166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).