methyl 2-hydroxy-2-(methoxycarbonylamino)acetate

C5H9NO5 — CID 11412561

IUPACmethyl 2-hydroxy-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)NC(O)C(=O)OC
InChIInChI=1S/C5H9NO5/c1-10-4(8)3(7)6-5(9)11-2/h3,7H,1-2H3,(H,6,9)
InChIKeyOYEZKPKNCOVTHZ-UHFFFAOYSA-N
MW163.13 g/mol
LogP-1.17
Rot. Bonds2

About methyl 2-hydroxy-2-(methoxycarbonylamino)acetate

methyl 2-hydroxy-2-(methoxycarbonylamino)acetate (PubChem CID 11412561) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(methoxycarbonylamino)acetate
PubChem CID11412561
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Namemethyl 2-hydroxy-2-(methoxycarbonylamino)acetate
SMILESCOC(=O)NC(O)C(=O)OC
InChIInChI=1S/C5H9NO5/c1-10-4(8)3(7)6-5(9)11-2/h3,7H,1-2H3,(H,6,9)
InChIKeyOYEZKPKNCOVTHZ-UHFFFAOYSA-N
XLogP-1.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
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CID 76960533

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(methoxycarbonylamino)acetate?
The IUPAC name of methyl 2-hydroxy-2-(methoxycarbonylamino)acetate (CID 11412561) is methyl 2-hydroxy-2-(methoxycarbonylamino)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(methoxycarbonylamino)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(methoxycarbonylamino)acetate is COC(=O)NC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-(methoxycarbonylamino)acetate?
The InChIKey is OYEZKPKNCOVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c1-10-4(8)3(7)6-5(9)11-2/h3,7H,1-2H3,(H,6,9).
What are the key properties of methyl 2-hydroxy-2-(methoxycarbonylamino)acetate?
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate has a molecular weight of 163.13 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 11412561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).