2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C13H20N4O4 — CID 2635015

IUPAC2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O
InChIInChI=1S/C13H20N4O4/c1-4-5-14-12(20)16-10(18)7-17-11(19)9(6-8(2)3)15-13(17)21/h4,8-9H,1,5-7H2,2-3H3,(H,15,21)(H2,14,16,18,20)/t9-/m0/s1
InChIKeyDNVJYCDJPFWMDZ-VIFPVBQESA-N
MW296.33 g/mol
LogP-0.04
Rot. Bonds6

About 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 2635015) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID2635015
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O
InChIInChI=1S/C13H20N4O4/c1-4-5-14-12(20)16-10(18)7-17-11(19)9(6-8(2)3)15-13(17)21/h4,8-9H,1,5-7H2,2-3H3,(H,15,21)(H2,14,16,18,20)/t9-/m0/s1
InChIKeyDNVJYCDJPFWMDZ-VIFPVBQESA-N
XLogP-0.04
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 2635015) is 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is DNVJYCDJPFWMDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O4/c1-4-5-14-12(20)16-10(18)7-17-11(19)9(6-8(2)3)15-13(17)21/h4,8-9H,1,5-7H2,2-3H3,(H,15,21)(H2,14,16,18,20)/t9-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 2635015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).