ethyl 2-[(2-methoxyacetyl)amino]acetate

C7H13NO4 — CID 4777941

IUPACethyl 2-[(2-methoxyacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)COC
InChIInChI=1S/C7H13NO4/c1-3-12-7(10)4-8-6(9)5-11-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZTTUXBHKFAOIOV-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.69
Rot. Bonds5

About ethyl 2-[(2-methoxyacetyl)amino]acetate

ethyl 2-[(2-methoxyacetyl)amino]acetate (PubChem CID 4777941) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl 2-[(2-methoxyacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxyacetyl)amino]acetate
PubChem CID4777941
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl 2-[(2-methoxyacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)COC
InChIInChI=1S/C7H13NO4/c1-3-12-7(10)4-8-6(9)5-11-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyZTTUXBHKFAOIOV-UHFFFAOYSA-N
XLogP-0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyloxalylglycine
CID 560326
Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
2-Acetamidoethyl acetate
CID 85319
N-Ethoxyacetylglycine
CID 134082
Ethyl 2-(methylamino)-2-oxoacetate
CID 3413434
Ethyl glycylglycinate
CID 124706
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
2-(2-Methoxy-2-oxoacetamido)acetic acid
CID 14991438
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxyacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methoxyacetyl)amino]acetate (CID 4777941) is ethyl 2-[(2-methoxyacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methoxyacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methoxyacetyl)amino]acetate is CCOC(=O)CNC(=O)COC.
What is the InChIKey of ethyl 2-[(2-methoxyacetyl)amino]acetate?
The InChIKey is ZTTUXBHKFAOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-12-7(10)4-8-6(9)5-11-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl 2-[(2-methoxyacetyl)amino]acetate?
ethyl 2-[(2-methoxyacetyl)amino]acetate has a molecular weight of 175.18 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxyacetyl)amino]acetate is sourced from PubChem (CID 4777941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).