2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid

C7H11NO4 — CID 87207234

IUPAC2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid
SMILESC=CCOC(=O)CNCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-12-7(11)5-8-4-6(9)10/h2,8H,1,3-5H2,(H,9,10)
InChIKeyUAXJSMAAGBNWJD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.61
Rot. Bonds6

About 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid

2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid (PubChem CID 87207234) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid
PubChem CID87207234
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid
SMILESC=CCOC(=O)CNCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-12-7(11)5-8-4-6(9)10/h2,8H,1,3-5H2,(H,9,10)
InChIKeyUAXJSMAAGBNWJD-UHFFFAOYSA-N
XLogP-0.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid (CID 87207234) is 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid is C=CCOC(=O)CNCC(=O)O.
What is the InChIKey of 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid?
The InChIKey is UAXJSMAAGBNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-3-12-7(11)5-8-4-6(9)10/h2,8H,1,3-5H2,(H,9,10).
What are the key properties of 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid?
2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetic acid is sourced from PubChem (CID 87207234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).