3-[(5-methyl-2-pyridinyl)amino]propanoic acid

C9H12N2O2 — CID 24697280

IUPAC3-[(5-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccc(NCCC(=O)O)nc1
InChIInChI=1S/C9H12N2O2/c1-7-2-3-8(11-6-7)10-5-4-9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyQKCYNVOCHOEPFM-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.28
Rot. Bonds4

About 3-[(5-methyl-2-pyridinyl)amino]propanoic acid

3-[(5-methyl-2-pyridinyl)amino]propanoic acid (PubChem CID 24697280) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)amino]propanoic acid
PubChem CID24697280
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-[(5-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccc(NCCC(=O)O)nc1
InChIInChI=1S/C9H12N2O2/c1-7-2-3-8(11-6-7)10-5-4-9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyQKCYNVOCHOEPFM-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)amino]propanoic acid (CID 24697280) is 3-[(5-methyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)amino]propanoic acid is Cc1ccc(NCCC(=O)O)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is QKCYNVOCHOEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-2-3-8(11-6-7)10-5-4-9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-[(5-methyl-2-pyridinyl)amino]propanoic acid?
3-[(5-methyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 24697280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).