3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid

C13H17N3O3 — CID 122094973

IUPAC3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc2c(n1)CCC2
InChIInChI=1S/C13H17N3O3/c1-16(8-7-12(17)18)13(19)15-11-6-5-9-3-2-4-10(9)14-11/h5-6H,2-4,7-8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyJQCHTQZJKJJDGF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.51
Rot. Bonds4

About 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid

3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 122094973) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid
PubChem CID122094973
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1ccc2c(n1)CCC2
InChIInChI=1S/C13H17N3O3/c1-16(8-7-12(17)18)13(19)15-11-6-5-9-3-2-4-10(9)14-11/h5-6H,2-4,7-8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyJQCHTQZJKJJDGF-UHFFFAOYSA-N
XLogP1.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid (CID 122094973) is 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1ccc2c(n1)CCC2.
What is the InChIKey of 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is JQCHTQZJKJJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(8-7-12(17)18)13(19)15-11-6-5-9-3-2-4-10(9)14-11/h5-6H,2-4,7-8H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid?
3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 122094973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).