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

C11H17N3O4 — CID 43407271

IUPACmethyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-6(2)4-7(10(16)18-3)13-9(15)8-5-12-11(17)14-8/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,14,17)
InChIKeyCUWCUXKGWSQAJW-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.02
Rot. Bonds5

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

methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate (PubChem CID 43407271) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
PubChem CID43407271
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-6(2)4-7(10(16)18-3)13-9(15)8-5-12-11(17)14-8/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,14,17)
InChIKeyCUWCUXKGWSQAJW-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115770821
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 43469889
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
CID 47158124
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65188854
5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 82855211
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
CID 114284029
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate (CID 43407271) is methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
The InChIKey is CUWCUXKGWSQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)4-7(10(16)18-3)13-9(15)8-5-12-11(17)14-8/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,14,17).
What are the key properties of methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate has a molecular weight of 255.27 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 43407271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).