2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid

C10H13NO5 — CID 88514689

IUPAC2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)NC=CC(=O)O
InChIInChI=1S/C6H7NO3.C4H6O2/c1-2-5(8)7-4-3-6(9)10;1-3(2)4(5)6/h2-4H,1H2,(H,7,8)(H,9,10);1H2,2H3,(H,5,6)
InChIKeyJDXJYZCFEUKMAM-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.53
Rot. Bonds4

About 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid

2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid (PubChem CID 88514689) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
PubChem CID88514689
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)NC=CC(=O)O
InChIInChI=1S/C6H7NO3.C4H6O2/c1-2-5(8)7-4-3-6(9)10;1-3(2)4(5)6/h2-4H,1H2,(H,7,8)(H,9,10);1H2,2H3,(H,5,6)
InChIKeyJDXJYZCFEUKMAM-UHFFFAOYSA-N
XLogP0.53
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.53
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 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid (CID 88514689) is 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)NC=CC(=O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid?
The InChIKey is JDXJYZCFEUKMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3.C4H6O2/c1-2-5(8)7-4-3-6(9)10;1-3(2)4(5)6/h2-4H,1H2,(H,7,8)(H,9,10);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid?
2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid has a molecular weight of 227.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid is sourced from PubChem (CID 88514689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).