2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid

C7H11NO4 — CID 7357751

IUPAC2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid
SMILESC=CCNC(=O)COCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-8-6(9)4-12-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyHDNUNWUUZOSWOS-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.61
Rot. Bonds6

About 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid

2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid (PubChem CID 7357751) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid
PubChem CID7357751
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid
SMILESC=CCNC(=O)COCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-8-6(9)4-12-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyHDNUNWUUZOSWOS-UHFFFAOYSA-N
XLogP-0.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid (CID 7357751) is 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid is C=CCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid?
The InChIKey is HDNUNWUUZOSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-3-8-6(9)4-12-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11).
What are the key properties of 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid?
2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(prop-2-enylamino)ethoxy]acetic acid is sourced from PubChem (CID 7357751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).