methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate

C11H17N3O4 — CID 43623974

IUPACmethyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C11H17N3O4/c1-4-5-11(2,9(16)18-3)14-8(15)7-6-12-10(17)13-7/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,17)
InChIKeyHNEYWQUDYONSIG-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.16
Rot. Bonds5

About methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate (PubChem CID 43623974) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
PubChem CID43623974
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C11H17N3O4/c1-4-5-11(2,9(16)18-3)14-8(15)7-6-12-10(17)13-7/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,17)
InChIKeyHNEYWQUDYONSIG-UHFFFAOYSA-N
XLogP0.16
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate (CID 43623974) is methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1c[nH]c(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The InChIKey is HNEYWQUDYONSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-5-11(2,9(16)18-3)14-8(15)7-6-12-10(17)13-7/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,17).
What are the key properties of methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate has a molecular weight of 255.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 43623974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).