methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate

C8H14N2O3 — CID 144797933

IUPACmethyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate
SMILESC/C=C(\NC)C(=O)NCC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-4-6(9-2)8(12)10-5-7(11)13-3/h4,9H,5H2,1-3H3,(H,10,12)/b6-4-
InChIKeyLQRTWCFDIFEALQ-XQRVVYSFSA-N
MW186.21 g/mol
LogP-0.60
Rot. Bonds4

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

methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate (PubChem CID 144797933) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate
PubChem CID144797933
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate
SMILESC/C=C(\NC)C(=O)NCC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-4-6(9-2)8(12)10-5-7(11)13-3/h4,9H,5H2,1-3H3,(H,10,12)/b6-4-
InChIKeyLQRTWCFDIFEALQ-XQRVVYSFSA-N
XLogP-0.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate (CID 144797933) is methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate is C/C=C(\NC)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate?
The InChIKey is LQRTWCFDIFEALQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4-6(9-2)8(12)10-5-7(11)13-3/h4,9H,5H2,1-3H3,(H,10,12)/b6-4-.
What are the key properties of methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate?
methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate has a molecular weight of 186.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate is sourced from PubChem (CID 144797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).