2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid

C8H13NO4 — CID 21287807

IUPAC2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid
SMILESC=CC(=O)N(CC)C(OC)C(=O)O
InChIInChI=1S/C8H13NO4/c1-4-6(10)9(5-2)7(13-3)8(11)12/h4,7H,1,5H2,2-3H3,(H,11,12)
InChIKeyCABHTAAYIZWLTL-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.08
Rot. Bonds5

About 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid

2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid (PubChem CID 21287807) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid
PubChem CID21287807
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid
SMILESC=CC(=O)N(CC)C(OC)C(=O)O
InChIInChI=1S/C8H13NO4/c1-4-6(10)9(5-2)7(13-3)8(11)12/h4,7H,1,5H2,2-3H3,(H,11,12)
InChIKeyCABHTAAYIZWLTL-UHFFFAOYSA-N
XLogP0.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid?
The IUPAC name of 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid (CID 21287807) is 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid.
What is the SMILES notation for 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid?
The canonical SMILES for 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid is C=CC(=O)N(CC)C(OC)C(=O)O.
What is the InChIKey of 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid?
The InChIKey is CABHTAAYIZWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-6(10)9(5-2)7(13-3)8(11)12/h4,7H,1,5H2,2-3H3,(H,11,12).
What are the key properties of 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid?
2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid has a molecular weight of 187.19 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid is sourced from PubChem (CID 21287807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).