2-[[(E)-but-2-enoyl]-methylamino]acetic acid

C7H11NO3 — CID 24704117

IUPAC2-[[(E)-but-2-enoyl]-methylamino]acetic acid
SMILESC/C=C/C(=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)/b4-3+
InChIKeyTWZFQUOZBIWREU-ONEGZZNKSA-N
MW157.17 g/mol
LogP0.11
Rot. Bonds3

About 2-[[(E)-but-2-enoyl]-methylamino]acetic acid

2-[[(E)-but-2-enoyl]-methylamino]acetic acid (PubChem CID 24704117) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-methylamino]acetic acid
PubChem CID24704117
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[[(E)-but-2-enoyl]-methylamino]acetic acid
SMILESC/C=C/C(=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)/b4-3+
InChIKeyTWZFQUOZBIWREU-ONEGZZNKSA-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-[[(E)-but-2-enoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(E)-but-2-enoyl]-methylamino]acetic acid (CID 24704117) is 2-[[(E)-but-2-enoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-methylamino]acetic acid is C/C=C/C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-methylamino]acetic acid?
The InChIKey is TWZFQUOZBIWREU-ONEGZZNKSA-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)/b4-3+.
What are the key properties of 2-[[(E)-but-2-enoyl]-methylamino]acetic acid?
2-[[(E)-but-2-enoyl]-methylamino]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-[[(E)-but-2-enoyl]-methylamino]acetic acid is sourced from PubChem (CID 24704117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).