azane;bis(2-methylprop-2-enoic acid)

C8H15NO4 — CID 87148679

IUPACazane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.N
InChIInChI=1S/2C4H6O2.H3N/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);1H3
InChIKeyODHAPODEQXYOIS-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.46
Rot. Bonds2

About azane;bis(2-methylprop-2-enoic acid)

azane;bis(2-methylprop-2-enoic acid) (PubChem CID 87148679) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is azane;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameazane;bis(2-methylprop-2-enoic acid)
PubChem CID87148679
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameazane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.N
InChIInChI=1S/2C4H6O2.H3N/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);1H3
InChIKeyODHAPODEQXYOIS-UHFFFAOYSA-N
XLogP1.46
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 azane;bis(2-methylprop-2-enoic acid)?
The IUPAC name of azane;bis(2-methylprop-2-enoic acid) (CID 87148679) is azane;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for azane;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for azane;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.N.
What is the InChIKey of azane;bis(2-methylprop-2-enoic acid)?
The InChIKey is ODHAPODEQXYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.H3N/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);1H3.
What are the key properties of azane;bis(2-methylprop-2-enoic acid)?
azane;bis(2-methylprop-2-enoic acid) has a molecular weight of 189.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 87148679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).