4-aminobut-1-enylurea;2-methylprop-2-enoic acid

C9H17N3O3 — CID 175016914

IUPAC4-aminobut-1-enylurea;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCCC=CNC(N)=O
InChIInChI=1S/C5H11N3O.C4H6O2/c6-3-1-2-4-8-5(7)9;1-3(2)4(5)6/h2,4H,1,3,6H2,(H3,7,8,9);1H2,2H3,(H,5,6)
InChIKeyROJJLQLFXZCKLM-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.16
Rot. Bonds4

About 4-aminobut-1-enylurea;2-methylprop-2-enoic acid

4-aminobut-1-enylurea;2-methylprop-2-enoic acid (PubChem CID 175016914) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-aminobut-1-enylurea;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4-aminobut-1-enylurea;2-methylprop-2-enoic acid
PubChem CID175016914
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-aminobut-1-enylurea;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCCC=CNC(N)=O
InChIInChI=1S/C5H11N3O.C4H6O2/c6-3-1-2-4-8-5(7)9;1-3(2)4(5)6/h2,4H,1,3,6H2,(H3,7,8,9);1H2,2H3,(H,5,6)
InChIKeyROJJLQLFXZCKLM-UHFFFAOYSA-N
XLogP0.16
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
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CID 18702482
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CID 174754589
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CID 175091080
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CID 22182173
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
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CID 21426946
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CID 87619293

Frequently Asked Questions

What is the IUPAC name of 4-aminobut-1-enylurea;2-methylprop-2-enoic acid?
The IUPAC name of 4-aminobut-1-enylurea;2-methylprop-2-enoic acid (CID 175016914) is 4-aminobut-1-enylurea;2-methylprop-2-enoic acid.
What is the SMILES notation for 4-aminobut-1-enylurea;2-methylprop-2-enoic acid?
The canonical SMILES for 4-aminobut-1-enylurea;2-methylprop-2-enoic acid is C=C(C)C(=O)O.NCCC=CNC(N)=O.
What is the InChIKey of 4-aminobut-1-enylurea;2-methylprop-2-enoic acid?
The InChIKey is ROJJLQLFXZCKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C4H6O2/c6-3-1-2-4-8-5(7)9;1-3(2)4(5)6/h2,4H,1,3,6H2,(H3,7,8,9);1H2,2H3,(H,5,6).
What are the key properties of 4-aminobut-1-enylurea;2-methylprop-2-enoic acid?
4-aminobut-1-enylurea;2-methylprop-2-enoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobut-1-enylurea;2-methylprop-2-enoic acid is sourced from PubChem (CID 175016914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).