2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid

C12H13FN2O3 — CID 113452810

IUPAC2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cncc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13FN2O3/c1-12(11(17)18,8-2-3-8)15-10(16)7-4-9(13)6-14-5-7/h4-6,8H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyVKESRTKWSVVEAL-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid (PubChem CID 113452810) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
PubChem CID113452810
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cncc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13FN2O3/c1-12(11(17)18,8-2-3-8)15-10(16)7-4-9(13)6-14-5-7/h4-6,8H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyVKESRTKWSVVEAL-UHFFFAOYSA-N
XLogP1.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
CID 113265701
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
CID 104605935
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid (CID 113452810) is 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1cncc(F)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is VKESRTKWSVVEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-12(11(17)18,8-2-3-8)15-10(16)7-4-9(13)6-14-5-7/h4-6,8H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 252.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 113452810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).