3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid

C18H27N3O4 — CID 39150929

IUPAC3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)N(C)CCC(=O)O)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14-5-10-20(11-6-14)15-3-4-17(23)21(13-15)12-7-16(22)19(2)9-8-18(24)25/h3-4,13-14H,5-12H2,1-2H3,(H,24,25)
InChIKeyXRHHCNUBORCYKP-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.41
Rot. Bonds7

About 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid

3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid (PubChem CID 39150929) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid
PubChem CID39150929
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)N(C)CCC(=O)O)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14-5-10-20(11-6-14)15-3-4-17(23)21(13-15)12-7-16(22)19(2)9-8-18(24)25/h3-4,13-14H,5-12H2,1-2H3,(H,24,25)
InChIKeyXRHHCNUBORCYKP-UHFFFAOYSA-N
XLogP1.41
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid (CID 39150929) is 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid is CC1CCN(c2ccc(=O)n(CCC(=O)N(C)CCC(=O)O)c2)CC1.
What is the InChIKey of 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid?
The InChIKey is XRHHCNUBORCYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14-5-10-20(11-6-14)15-3-4-17(23)21(13-15)12-7-16(22)19(2)9-8-18(24)25/h3-4,13-14H,5-12H2,1-2H3,(H,24,25).
What are the key properties of 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid?
3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid has a molecular weight of 349.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid is sourced from PubChem (CID 39150929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).