2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid

C13H18N2O3 — CID 60830074

IUPAC2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H18N2O3/c1-4-10(3)15(8-12(16)17)13(18)11-6-5-9(2)14-7-11/h5-7,10H,4,8H2,1-3H3,(H,16,17)
InChIKeyDBYUVMUAQKRKKE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.72
Rot. Bonds5

About 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid

2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 60830074) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
PubChem CID60830074
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H18N2O3/c1-4-10(3)15(8-12(16)17)13(18)11-6-5-9(2)14-7-11/h5-7,10H,4,8H2,1-3H3,(H,16,17)
InChIKeyDBYUVMUAQKRKKE-UHFFFAOYSA-N
XLogP1.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 63395731
2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
CID 120529873
2-[butan-2-yl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119954717
2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119955110
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid (CID 60830074) is 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(C)nc1.
What is the InChIKey of 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is DBYUVMUAQKRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10(3)15(8-12(16)17)13(18)11-6-5-9(2)14-7-11/h5-7,10H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60830074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).