methyl 2-[[(E)-but-2-enoyl]amino]acetate

C7H11NO3 — CID 6211680

IUPACmethyl 2-[[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)NCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+
InChIKeyOMXMUPFBFXABMB-ONEGZZNKSA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds3

About methyl 2-[[(E)-but-2-enoyl]amino]acetate

methyl 2-[[(E)-but-2-enoyl]amino]acetate (PubChem CID 6211680) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-[[(E)-but-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(E)-but-2-enoyl]amino]acetate
PubChem CID6211680
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-[[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)NCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+
InChIKeyOMXMUPFBFXABMB-ONEGZZNKSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[[(E)-but-2-enoyl]amino]acetate 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 methyl 2-[[(E)-but-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[[(E)-but-2-enoyl]amino]acetate (CID 6211680) is methyl 2-[[(E)-but-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(E)-but-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(E)-but-2-enoyl]amino]acetate is C/C=C/C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(E)-but-2-enoyl]amino]acetate?
The InChIKey is OMXMUPFBFXABMB-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+.
What are the key properties of methyl 2-[[(E)-but-2-enoyl]amino]acetate?
methyl 2-[[(E)-but-2-enoyl]amino]acetate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-but-2-enoyl]amino]acetate is sourced from PubChem (CID 6211680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).