4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid

C13H19N3O4 — CID 39178208

IUPAC4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC(C)(CO)Nc1ccc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,8-17)16-10-4-3-9(7-14-10)15-11(18)5-6-12(19)20/h3-4,7,17H,5-6,8H2,1-2H3,(H,14,16)(H,15,18)(H,19,20)
InChIKeyMVYSNQHVXGNCIL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.07
Rot. Bonds7

About 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 39178208) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID39178208
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC(C)(CO)Nc1ccc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,8-17)16-10-4-3-9(7-14-10)15-11(18)5-6-12(19)20/h3-4,7,17H,5-6,8H2,1-2H3,(H,14,16)(H,15,18)(H,19,20)
InChIKeyMVYSNQHVXGNCIL-UHFFFAOYSA-N
XLogP1.07
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
CID 28902556
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902646
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902871
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178183
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid (CID 39178208) is 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid is CC(C)(CO)Nc1ccc(NC(=O)CCC(=O)O)cn1.
What is the InChIKey of 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is MVYSNQHVXGNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,8-17)16-10-4-3-9(7-14-10)15-11(18)5-6-12(19)20/h3-4,7,17H,5-6,8H2,1-2H3,(H,14,16)(H,15,18)(H,19,20).
What are the key properties of 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 39178208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).