ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate

C11H23N3O4 — CID 159184038

IUPACethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
SMILESCCOC(=O)C/N=C/N(C)C.CCOC(=O)CN
InChIInChI=1S/C7H14N2O2.C4H9NO2/c1-4-11-7(10)5-8-6-9(2)3;1-2-7-4(6)3-5/h6H,4-5H2,1-3H3;2-3,5H2,1H3/b8-6+;
InChIKeyKNGIIPBFWQFPGD-WVLIHFOGSA-N
MW261.32 g/mol
LogP-0.35
Rot. Bonds6

About ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate

ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate (PubChem CID 159184038) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
PubChem CID159184038
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
SMILESCCOC(=O)C/N=C/N(C)C.CCOC(=O)CN
InChIInChI=1S/C7H14N2O2.C4H9NO2/c1-4-11-7(10)5-8-6-9(2)3;1-2-7-4(6)3-5/h6H,4-5H2,1-3H3;2-3,5H2,1H3/b8-6+;
InChIKeyKNGIIPBFWQFPGD-WVLIHFOGSA-N
XLogP-0.35
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate?
The IUPAC name of ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate (CID 159184038) is ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate.
What is the SMILES notation for ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate?
The canonical SMILES for ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate is CCOC(=O)C/N=C/N(C)C.CCOC(=O)CN.
What is the InChIKey of ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate?
The InChIKey is KNGIIPBFWQFPGD-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H14N2O2.C4H9NO2/c1-4-11-7(10)5-8-6-9(2)3;1-2-7-4(6)3-5/h6H,4-5H2,1-3H3;2-3,5H2,1H3/b8-6+;.
What are the key properties of ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate?
ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate has a molecular weight of 261.32 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate is sourced from PubChem (CID 159184038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).