4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid

C11H17N3O3 — CID 107971121

IUPAC4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cn(C)cn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17)13-10(15)9-5-14(3)6-12-9/h5-8H,4H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyLMTJMHOPFSFBEA-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.65
Rot. Bonds5

About 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid

4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid (PubChem CID 107971121) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
PubChem CID107971121
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cn(C)cn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17)13-10(15)9-5-14(3)6-12-9/h5-8H,4H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyLMTJMHOPFSFBEA-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 107971719
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 119363452
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
4-methyl-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]pentanoic acid
CID 119188574

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid (CID 107971121) is 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cn(C)cn1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is LMTJMHOPFSFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17)13-10(15)9-5-14(3)6-12-9/h5-8H,4H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid?
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 239.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107971121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).