2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid

C11H13FN2O3 — CID 104638164

IUPAC2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O3/c1-7(2)14(6-10(15)16)11(17)9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyGZIAKDWYJZUTJS-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.16
Rot. Bonds4

About 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 104638164) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID104638164
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O3/c1-7(2)14(6-10(15)16)11(17)9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyGZIAKDWYJZUTJS-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
CID 104638328
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832051
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
CID 104638217
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid (CID 104638164) is 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is GZIAKDWYJZUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7(2)14(6-10(15)16)11(17)9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 240.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 104638164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).