2-[but-2-enoyl(methyl)amino]acetic acid

C7H11NO3 — CID 74314380

IUPAC2-[but-2-enoyl(methyl)amino]acetic acid
SMILESCC=CC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(9)8(2)5-7(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyTWZFQUOZBIWREU-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.11
Rot. Bonds3

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

2-[but-2-enoyl(methyl)amino]acetic acid (PubChem CID 74314380) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[but-2-enoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[but-2-enoyl(methyl)amino]acetic acid
PubChem CID74314380
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[but-2-enoyl(methyl)amino]acetic acid
SMILESCC=CC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(9)8(2)5-7(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyTWZFQUOZBIWREU-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[but-2-enoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[but-2-enoyl(methyl)amino]acetic acid (CID 74314380) is 2-[but-2-enoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[but-2-enoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[but-2-enoyl(methyl)amino]acetic acid is CC=CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[but-2-enoyl(methyl)amino]acetic acid?
The InChIKey is TWZFQUOZBIWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-6(9)8(2)5-7(10)11/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of 2-[but-2-enoyl(methyl)amino]acetic acid?
2-[but-2-enoyl(methyl)amino]acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enoyl(methyl)amino]acetic acid is sourced from PubChem (CID 74314380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).