4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid

C14H21N3O4 — CID 122087152

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
SMILESCc1cc(NC(=O)NC(C)(C)CCC(=O)O)c(=O)n(C)c1
InChIInChI=1S/C14H21N3O4/c1-9-7-10(12(20)17(4)8-9)15-13(21)16-14(2,3)6-5-11(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,15,16,21)
InChIKeyDOCIIZACQKCZSE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.46
Rot. Bonds5

About 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122087152) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122087152
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
SMILESCc1cc(NC(=O)NC(C)(C)CCC(=O)O)c(=O)n(C)c1
InChIInChI=1S/C14H21N3O4/c1-9-7-10(12(20)17(4)8-9)15-13(21)16-14(2,3)6-5-11(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,15,16,21)
InChIKeyDOCIIZACQKCZSE-UHFFFAOYSA-N
XLogP1.46
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926883
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442
4-methyl-4-[(2-methyl-1-oxoisoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122093137
4-methyl-4-[[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]pentanoic acid
CID 122085105
4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092568
4-[(4,5-dichloro-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 122092588
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122091763

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid (CID 122087152) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid is Cc1cc(NC(=O)NC(C)(C)CCC(=O)O)c(=O)n(C)c1.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is DOCIIZACQKCZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-7-10(12(20)17(4)8-9)15-13(21)16-14(2,3)6-5-11(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,15,16,21).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122087152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).