2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid

C13H16N2O3 — CID 63705044

IUPAC2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C13H16N2O3/c1-9(16)15(11-3-4-11)13(2,12(17)18)10-5-7-14-8-6-10/h5-8,11H,3-4H2,1-2H3,(H,17,18)
InChIKeyBZDQADDVMXEDDH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid

2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid (PubChem CID 63705044) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid
PubChem CID63705044
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C13H16N2O3/c1-9(16)15(11-3-4-11)13(2,12(17)18)10-5-7-14-8-6-10/h5-8,11H,3-4H2,1-2H3,(H,17,18)
InChIKeyBZDQADDVMXEDDH-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.39
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-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid (CID 63705044) is 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid is CC(=O)N(C1CC1)C(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid?
The InChIKey is BZDQADDVMXEDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)15(11-3-4-11)13(2,12(17)18)10-5-7-14-8-6-10/h5-8,11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid?
2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.39, 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-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 63705044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).