2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid

C14H20N2O3 — CID 115429550

IUPAC2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cccnc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-16-12(17)11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLFLGGSYTXGPFOG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.01
Rot. Bonds6

About 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 115429550) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID115429550
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cccnc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-16-12(17)11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLFLGGSYTXGPFOG-UHFFFAOYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-ethyl-2-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]butanoic acid
CID 82826947
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 115431161
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methylpyridine-3-carboxamide
CID 107867796
2-[[(3-bromopyridine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533259
2-ethyl-2-[(isoquinoline-1-carbonylamino)methyl]butanoic acid
CID 120533419
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid (CID 115429550) is 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1cccnc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is LFLGGSYTXGPFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-16-12(17)11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115429550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).