2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid

C12H16N2O2 — CID 83837720

IUPAC2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1cccc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)14(2)11-5-3-4-10(13-11)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyWLXDORQPLFBNIJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds4

About 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid

2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid (PubChem CID 83837720) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid
PubChem CID83837720
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1cccc(C2CC2)n1
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)14(2)11-5-3-4-10(13-11)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyWLXDORQPLFBNIJ-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid (CID 83837720) is 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)c1cccc(C2CC2)n1.
What is the InChIKey of 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid?
The InChIKey is WLXDORQPLFBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(12(15)16)14(2)11-5-3-4-10(13-11)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid?
2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid is sourced from PubChem (CID 83837720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).