3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid

C12H15N3O3 — CID 54925465

IUPAC3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
SMILESNC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1
InChIInChI=1S/C12H15N3O3/c13-12(18)10-7-9(3-5-14-10)15(8-1-2-8)6-4-11(16)17/h3,5,7-8H,1-2,4,6H2,(H2,13,18)(H,16,17)
InChIKeyHKCLLNLYHIURSF-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.62
Rot. Bonds6

About 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid

3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid (PubChem CID 54925465) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
PubChem CID54925465
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
SMILESNC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1
InChIInChI=1S/C12H15N3O3/c13-12(18)10-7-9(3-5-14-10)15(8-1-2-8)6-4-11(16)17/h3,5,7-8H,1-2,4,6H2,(H2,13,18)(H,16,17)
InChIKeyHKCLLNLYHIURSF-UHFFFAOYSA-N
XLogP0.62
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid (CID 54925465) is 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid is NC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1.
What is the InChIKey of 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid?
The InChIKey is HKCLLNLYHIURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-12(18)10-7-9(3-5-14-10)15(8-1-2-8)6-4-11(16)17/h3,5,7-8H,1-2,4,6H2,(H2,13,18)(H,16,17).
What are the key properties of 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid?
3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 54925465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).