4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid

C13H19N3O3 — CID 122088445

IUPAC4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
SMILESCc1cnccc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-9-8-14-7-5-10(9)15-12(19)16-13(2,3)6-4-11(17)18/h5,7-8H,4,6H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFVHGROHVTYBSBV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid

4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid (PubChem CID 122088445) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
PubChem CID122088445
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
SMILESCc1cnccc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-9-8-14-7-5-10(9)15-12(19)16-13(2,3)6-4-11(17)18/h5,7-8H,4,6H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFVHGROHVTYBSBV-UHFFFAOYSA-N
XLogP2.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092568
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
4-methyl-4-[[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]pentanoic acid
CID 122085105
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052
3-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 64701832

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid (CID 122088445) is 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid is Cc1cnccc1NC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid?
The InChIKey is FVHGROHVTYBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-8-14-7-5-10(9)15-12(19)16-13(2,3)6-4-11(17)18/h5,7-8H,4,6H2,1-3H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid?
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122088445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).