(2-methoxy-2-oxoethyl) 2-aminoacetate

C5H9NO4 — CID 87368434

IUPAC(2-methoxy-2-oxoethyl) 2-aminoacetate
SMILESCOC(=O)COC(=O)CN
InChIInChI=1S/C5H9NO4/c1-9-5(8)3-10-4(7)2-6/h2-3,6H2,1H3
InChIKeyAEYPKIANMVWHJO-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.34
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2-aminoacetate

(2-methoxy-2-oxoethyl) 2-aminoacetate (PubChem CID 87368434) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-aminoacetate
PubChem CID87368434
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2-methoxy-2-oxoethyl) 2-aminoacetate
SMILESCOC(=O)COC(=O)CN
InChIInChI=1S/C5H9NO4/c1-9-5(8)3-10-4(7)2-6/h2-3,6H2,1H3
InChIKeyAEYPKIANMVWHJO-UHFFFAOYSA-N
XLogP-1.34
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-prop-1-en-2-yloxyacetate
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(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
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(2-methoxy-2-oxoethyl) 4,4,4-trichlorobutanoate
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ethyl 2-aminoacetate
CID 45039361
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
CID 158046922
4-O-(2-methoxy-2-oxoethyl) 1-O-methyl (E)-2,3-dibromobut-2-enedioate
CID 11024798
methyl 2-aminoacetate;methyl carbamodithioate
CID 175268095

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-aminoacetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-aminoacetate (CID 87368434) is (2-methoxy-2-oxoethyl) 2-aminoacetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-aminoacetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-aminoacetate is COC(=O)COC(=O)CN.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-aminoacetate?
The InChIKey is AEYPKIANMVWHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-9-5(8)3-10-4(7)2-6/h2-3,6H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-aminoacetate?
(2-methoxy-2-oxoethyl) 2-aminoacetate has a molecular weight of 147.13 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-aminoacetate is sourced from PubChem (CID 87368434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).