2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid

C15H16F4N2O4 — CID 120519325

IUPAC2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CC1
InChIInChI=1S/C15H16F4N2O4/c1-8(13(23)24)21(10-3-4-10)12(22)9-2-5-11(20-6-9)25-7-15(18,19)14(16)17/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,23,24)
InChIKeyXMTJACVDLPBIGA-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.44
Rot. Bonds8

About 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120519325) has the molecular formula C15H16F4N2O4 and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID120519325
Molecular FormulaC15H16F4N2O4
Molecular Weight364.30 g/mol
Exact Mass364.10
IUPAC Name2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CC1
InChIInChI=1S/C15H16F4N2O4/c1-8(13(23)24)21(10-3-4-10)12(22)9-2-5-11(20-6-9)25-7-15(18,19)14(16)17/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,23,24)
InChIKeyXMTJACVDLPBIGA-UHFFFAOYSA-N
XLogP2.44
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
CID 120515566
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-cyclopropyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 60555580
1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550
N-(2-methylpiperidin-3-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 120575234
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
CID 120816508
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119592111

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid (CID 120519325) is 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is XMTJACVDLPBIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O4/c1-8(13(23)24)21(10-3-4-10)12(22)9-2-5-11(20-6-9)25-7-15(18,19)14(16)17/h2,5-6,8,10,14H,3-4,7H2,1H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 364.30 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120519325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).