ethyl 2-amino-2-hydroxyacetate

C4H9NO3 — CID 57016976

IUPACethyl 2-amino-2-hydroxyacetate
SMILESCCOC(=O)C(N)O
InChIInChI=1S/C4H9NO3/c1-2-8-4(7)3(5)6/h3,6H,2,5H2,1H3
InChIKeyIVTIIRPHSMXMQN-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.17
Rot. Bonds2

About ethyl 2-amino-2-hydroxyacetate

ethyl 2-amino-2-hydroxyacetate (PubChem CID 57016976) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is ethyl 2-amino-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-hydroxyacetate
PubChem CID57016976
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Nameethyl 2-amino-2-hydroxyacetate
SMILESCCOC(=O)C(N)O
InChIInChI=1S/C4H9NO3/c1-2-8-4(7)3(5)6/h3,6H,2,5H2,1H3
InChIKeyIVTIIRPHSMXMQN-UHFFFAOYSA-N
XLogP-1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.17
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-amino-2-hydroxyacetate?
The IUPAC name of ethyl 2-amino-2-hydroxyacetate (CID 57016976) is ethyl 2-amino-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-amino-2-hydroxyacetate?
The canonical SMILES for ethyl 2-amino-2-hydroxyacetate is CCOC(=O)C(N)O.
What is the InChIKey of ethyl 2-amino-2-hydroxyacetate?
The InChIKey is IVTIIRPHSMXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2-8-4(7)3(5)6/h3,6H,2,5H2,1H3.
What are the key properties of ethyl 2-amino-2-hydroxyacetate?
ethyl 2-amino-2-hydroxyacetate has a molecular weight of 119.12 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-hydroxyacetate is sourced from PubChem (CID 57016976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).