3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

C13H19N3O3 — CID 79043662

IUPAC3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)Nc1cccnc1C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-8(2)11(12(17)18)16-13(19)15-10-6-5-7-14-9(10)3/h5-8,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyDRYXUTPDASFWRR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds5

About 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (PubChem CID 79043662) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
PubChem CID79043662
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)Nc1cccnc1C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-8(2)11(12(17)18)16-13(19)15-10-6-5-7-14-9(10)3/h5-8,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyDRYXUTPDASFWRR-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 80755851
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 114005731
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
(2S)-2-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61199980
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
2-[(4-fluoro-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61189908
2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61181562
3-methyl-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388772
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (CID 79043662) is 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is CCC(C)C(NC(=O)Nc1cccnc1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The InChIKey is DRYXUTPDASFWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-8(2)11(12(17)18)16-13(19)15-10-6-5-7-14-9(10)3/h5-8,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 79043662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).