2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid

C7H11NO4 — CID 18432069

IUPAC2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)C(OC)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4-5(9)8(2)6(12-3)7(10)11/h4,6H,1H2,2-3H3,(H,10,11)
InChIKeyZWZLMIBAWCELFU-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.31
Rot. Bonds4

About 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid

2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid (PubChem CID 18432069) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid
PubChem CID18432069
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(C)C(OC)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4-5(9)8(2)6(12-3)7(10)11/h4,6H,1H2,2-3H3,(H,10,11)
InChIKeyZWZLMIBAWCELFU-UHFFFAOYSA-N
XLogP-0.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methoxy-2-[methyl(prop-2-enoyl)amino]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-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
The IUPAC name of 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid (CID 18432069) is 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid.
What is the SMILES notation for 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
The canonical SMILES for 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid is C=CC(=O)N(C)C(OC)C(=O)O.
What is the InChIKey of 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
The InChIKey is ZWZLMIBAWCELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-5(9)8(2)6(12-3)7(10)11/h4,6H,1H2,2-3H3,(H,10,11).
What are the key properties of 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid?
2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[methyl(prop-2-enoyl)amino]acetic acid is sourced from PubChem (CID 18432069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).