2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid

C13H19N3O3 — CID 112741948

IUPAC2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Nc1c(C)ccnc1C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-5-13(4,11(17)18)16-12(19)15-10-8(2)6-7-14-9(10)3/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyWPGCUZYDORUGND-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds4

About 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid

2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 112741948) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID112741948
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Nc1c(C)ccnc1C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-5-13(4,11(17)18)16-12(19)15-10-8(2)6-7-14-9(10)3/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyWPGCUZYDORUGND-UHFFFAOYSA-N
XLogP2.07
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]butanoic acid
CID 107642257
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 79799059
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801430
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960
2-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801262
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104
2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 79798017

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid (CID 112741948) is 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)Nc1c(C)ccnc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is WPGCUZYDORUGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-13(4,11(17)18)16-12(19)15-10-8(2)6-7-14-9(10)3/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid?
2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 112741948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).