sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid

C13H20N3NaO3 — CID 173253512

IUPACsodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)NCc1ccccn1.[H-].[Na+]
InChIInChI=1S/C13H19N3O3.Na.H/c1-9(2)11(12(17)18)16(3)13(19)15-8-10-6-4-5-7-14-10;;/h4-7,9,11H,8H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyFJMQGLMDFIHVAD-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.55
Rot. Bonds5

About sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid

sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid (PubChem CID 173253512) has the molecular formula C13H20N3NaO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Namesodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid
PubChem CID173253512
Molecular FormulaC13H20N3NaO3
Molecular Weight289.31 g/mol
Exact Mass289.14
IUPAC Namesodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)NCc1ccccn1.[H-].[Na+]
InChIInChI=1S/C13H19N3O3.Na.H/c1-9(2)11(12(17)18)16(3)13(19)15-8-10-6-4-5-7-14-10;;/h4-7,9,11H,8H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyFJMQGLMDFIHVAD-UHFFFAOYSA-N
XLogP-1.55
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 79256586
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 65289685
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid?
The IUPAC name of sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid (CID 173253512) is sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid?
The canonical SMILES for sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid is CC(C)C(C(=O)O)N(C)C(=O)NCc1ccccn1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid?
The InChIKey is FJMQGLMDFIHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.Na.H/c1-9(2)11(12(17)18)16(3)13(19)15-8-10-6-4-5-7-14-10;;/h4-7,9,11H,8H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid?
sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid has a molecular weight of 289.31 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 173253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).