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

C8H14N2O3 — CID 170570560

IUPACethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)N(N)CC(=O)OCC
InChIInChI=1S/C8H14N2O3/c1-3-5-7(11)10(9)6-8(12)13-4-2/h3,5H,4,6,9H2,1-2H3/b5-3+
InChIKeyMFXDZEJWCHWNML-HWKANZROSA-N
MW186.21 g/mol
LogP-0.17
Rot. Bonds4

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

ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate (PubChem CID 170570560) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate
PubChem CID170570560
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)N(N)CC(=O)OCC
InChIInChI=1S/C8H14N2O3/c1-3-5-7(11)10(9)6-8(12)13-4-2/h3,5H,4,6,9H2,1-2H3/b5-3+
InChIKeyMFXDZEJWCHWNML-HWKANZROSA-N
XLogP-0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)-2-fluoroacetate
CID 81296720
Methyl 2-(3,6-dioxo-1,2-dihydropyridazinyl)acetate
CID 3375754
ethyl 2-(5-oxo-2H-pyrrol-1-yl)acetate
CID 13614845
Methyl 2-[amino(3-methylbut-2-enoyl)amino]acetate
CID 118687110
ethyl 2-[amino-[(E)-4-[ethyl(propyl)amino]-4-oxobut-2-enoyl]amino]acetate;methanol
CID 170570546
ethane;ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
CID 170570578
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 55003373
propan-2-yl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 60730621
butyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 60730622
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 60811380
ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
CID 61011838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate?
The IUPAC name of ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate (CID 170570560) is ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate?
The canonical SMILES for ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate is C/C=C/C(=O)N(N)CC(=O)OCC.
What is the InChIKey of ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate?
The InChIKey is MFXDZEJWCHWNML-HWKANZROSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-5-7(11)10(9)6-8(12)13-4-2/h3,5H,4,6,9H2,1-2H3/b5-3+.
What are the key properties of ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate?
ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate has a molecular weight of 186.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[amino-[(E)-but-2-enoyl]amino]acetate is sourced from PubChem (CID 170570560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).