ethyl 2-acetamido-2-hydroxyacetate

C6H11NO4 — CID 15327002

IUPACethyl 2-acetamido-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(C)=O
InChIInChI=1S/C6H11NO4/c1-3-11-6(10)5(9)7-4(2)8/h5,9H,3H2,1-2H3,(H,7,8)
InChIKeyJASGMORZQKFZPL-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.00
Rot. Bonds3

About ethyl 2-acetamido-2-hydroxyacetate

ethyl 2-acetamido-2-hydroxyacetate (PubChem CID 15327002) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethyl 2-acetamido-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-hydroxyacetate
PubChem CID15327002
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethyl 2-acetamido-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(C)=O
InChIInChI=1S/C6H11NO4/c1-3-11-6(10)5(9)7-4(2)8/h5,9H,3H2,1-2H3,(H,7,8)
InChIKeyJASGMORZQKFZPL-UHFFFAOYSA-N
XLogP-1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-hydroxyacetate?
The IUPAC name of ethyl 2-acetamido-2-hydroxyacetate (CID 15327002) is ethyl 2-acetamido-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-acetamido-2-hydroxyacetate?
The canonical SMILES for ethyl 2-acetamido-2-hydroxyacetate is CCOC(=O)C(O)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-2-hydroxyacetate?
The InChIKey is JASGMORZQKFZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-6(10)5(9)7-4(2)8/h5,9H,3H2,1-2H3,(H,7,8).
What are the key properties of ethyl 2-acetamido-2-hydroxyacetate?
ethyl 2-acetamido-2-hydroxyacetate has a molecular weight of 161.16 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-hydroxyacetate is sourced from PubChem (CID 15327002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).