2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid

C12H15FN2O3 — CID 115755678

IUPAC2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-8(2)15(7-11(16)17)12(18)9-4-10(13)6-14-5-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyOPSWLERZNNPGDS-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.55
Rot. Bonds5

About 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid (PubChem CID 115755678) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
PubChem CID115755678
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-8(2)15(7-11(16)17)12(18)9-4-10(13)6-14-5-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyOPSWLERZNNPGDS-UHFFFAOYSA-N
XLogP1.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
CID 120529873
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
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-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid (CID 115755678) is 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cncc(F)c1.
What is the InChIKey of 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The InChIKey is OPSWLERZNNPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-8(2)15(7-11(16)17)12(18)9-4-10(13)6-14-5-9/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid has a molecular weight of 254.26 g/mol, XLogP of 1.55, 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-(5-fluoropyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 115755678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).