N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride

C12H19ClN4O4 — CID 119525088

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CN)C1=O.Cl
InChIInChI=1S/C12H18N4O4.ClH/c1-4-5-15-9(18)10(19)16(11(15)20)6-8(17)14-12(2,3)7-13;/h4H,1,5-7,13H2,2-3H3,(H,14,17);1H
InChIKeyUQSWDVDOMGGPCP-UHFFFAOYSA-N
MW318.76 g/mol
LogP-0.76
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119525088) has the molecular formula C12H19ClN4O4 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119525088
Molecular FormulaC12H19ClN4O4
Molecular Weight318.76 g/mol
Exact Mass318.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CN)C1=O.Cl
InChIInChI=1S/C12H18N4O4.ClH/c1-4-5-15-9(18)10(19)16(11(15)20)6-8(17)14-12(2,3)7-13;/h4H,1,5-7,13H2,2-3H3,(H,14,17);1H
InChIKeyUQSWDVDOMGGPCP-UHFFFAOYSA-N
XLogP-0.76
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (CID 119525088) is N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride is C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CN)C1=O.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is UQSWDVDOMGGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4.ClH/c1-4-5-15-9(18)10(19)16(11(15)20)6-8(17)14-12(2,3)7-13;/h4H,1,5-7,13H2,2-3H3,(H,14,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).