2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid

C13H15FN2O3 — CID 83119830

IUPAC2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C13H15FN2O3/c1-8(17)16(10-4-5-10)13(2,12(18)19)11-6-3-9(14)7-15-11/h3,6-7,10H,4-5H2,1-2H3,(H,18,19)
InChIKeyQWYVKJHWTGUUAY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.53
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid

2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid (PubChem CID 83119830) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid
PubChem CID83119830
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C13H15FN2O3/c1-8(17)16(10-4-5-10)13(2,12(18)19)11-6-3-9(14)7-15-11/h3,6-7,10H,4-5H2,1-2H3,(H,18,19)
InChIKeyQWYVKJHWTGUUAY-UHFFFAOYSA-N
XLogP1.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid (CID 83119830) is 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid is CC(=O)N(C1CC1)C(C)(C(=O)O)c1ccc(F)cn1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid?
The InChIKey is QWYVKJHWTGUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(17)16(10-4-5-10)13(2,12(18)19)11-6-3-9(14)7-15-11/h3,6-7,10H,4-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid?
2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 83119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).