3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid

C13H18N2O2 — CID 79260864

IUPAC3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1cccc(CN(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C13H18N2O2/c1-10-3-2-4-11(14-10)9-15(12-5-6-12)8-7-13(16)17/h2-4,12H,5-9H2,1H3,(H,16,17)
InChIKeyVREBBMJLBQUQNU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds6

About 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid

3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid (PubChem CID 79260864) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
PubChem CID79260864
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1cccc(CN(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C13H18N2O2/c1-10-3-2-4-11(14-10)9-15(12-5-6-12)8-7-13(16)17/h2-4,12H,5-9H2,1H3,(H,16,17)
InChIKeyVREBBMJLBQUQNU-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid (CID 79260864) is 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid is Cc1cccc(CN(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The InChIKey is VREBBMJLBQUQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-3-2-4-11(14-10)9-15(12-5-6-12)8-7-13(16)17/h2-4,12H,5-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid is sourced from PubChem (CID 79260864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).