methyl (Z)-2-amino-4-iminobut-2-enoate

C5H8N2O2 — CID 144672680

IUPACmethyl (Z)-2-amino-4-iminobut-2-enoate
SMILES[H]/N=C/C=C(\N)C(=O)OC
InChIInChI=1S/C5H8N2O2/c1-9-5(8)4(7)2-3-6/h2-3,6H,7H2,1H3/b4-2-,6-3+
InChIKeyWUTMZNXETGGWNV-MDNDHVJUSA-N
MW128.13 g/mol
LogP-0.35
Rot. Bonds2

About methyl (Z)-2-amino-4-iminobut-2-enoate

methyl (Z)-2-amino-4-iminobut-2-enoate (PubChem CID 144672680) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is methyl (Z)-2-amino-4-iminobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-4-iminobut-2-enoate
PubChem CID144672680
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Namemethyl (Z)-2-amino-4-iminobut-2-enoate
SMILES[H]/N=C/C=C(\N)C(=O)OC
InChIInChI=1S/C5H8N2O2/c1-9-5(8)4(7)2-3-6/h2-3,6H,7H2,1H3/b4-2-,6-3+
InChIKeyWUTMZNXETGGWNV-MDNDHVJUSA-N
XLogP-0.35
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-4-iminobut-2-enoate?
The IUPAC name of methyl (Z)-2-amino-4-iminobut-2-enoate (CID 144672680) is methyl (Z)-2-amino-4-iminobut-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-4-iminobut-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-4-iminobut-2-enoate is [H]/N=C/C=C(\N)C(=O)OC.
What is the InChIKey of methyl (Z)-2-amino-4-iminobut-2-enoate?
The InChIKey is WUTMZNXETGGWNV-MDNDHVJUSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-9-5(8)4(7)2-3-6/h2-3,6H,7H2,1H3/b4-2-,6-3+.
What are the key properties of methyl (Z)-2-amino-4-iminobut-2-enoate?
methyl (Z)-2-amino-4-iminobut-2-enoate has a molecular weight of 128.13 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-4-iminobut-2-enoate is sourced from PubChem (CID 144672680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).