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

C14H21ClN4O4 — CID 119575938

IUPACN-(1-amino-2-cyclopropylpropan-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)(CN)C2CC2)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-3-6-17-11(20)12(21)18(13(17)22)7-10(19)16-14(2,8-15)9-4-5-9;/h3,9H,1,4-8,15H2,2H3,(H,16,19);1H
InChIKeyIKNRZOHPTGSYQZ-UHFFFAOYSA-N
MW344.80 g/mol
LogP-0.37
Rot. Bonds7

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119575938) has the molecular formula C14H21ClN4O4 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119575938
Molecular FormulaC14H21ClN4O4
Molecular Weight344.80 g/mol
Exact Mass344.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-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)(CN)C2CC2)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-3-6-17-11(20)12(21)18(13(17)22)7-10(19)16-14(2,8-15)9-4-5-9;/h3,9H,1,4-8,15H2,2H3,(H,16,19);1H
InChIKeyIKNRZOHPTGSYQZ-UHFFFAOYSA-N
XLogP-0.37
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-0.37
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-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (CID 119575938) is N-(1-amino-2-cyclopropylpropan-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-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-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)(CN)C2CC2)C1=O.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is IKNRZOHPTGSYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4.ClH/c1-3-6-17-11(20)12(21)18(13(17)22)7-10(19)16-14(2,8-15)9-4-5-9;/h3,9H,1,4-8,15H2,2H3,(H,16,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119575938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).