3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid

C14H18N2O4 — CID 122018203

IUPAC3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid
SMILESCC1=C(c2ccco2)CN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-10-5-7-16(14(19)15-6-4-13(17)18)9-11(10)12-3-2-8-20-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyMNHUGXFMVXYTMX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.94
Rot. Bonds4

About 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid

3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid (PubChem CID 122018203) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid
PubChem CID122018203
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid
SMILESCC1=C(c2ccco2)CN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-10-5-7-16(14(19)15-6-4-13(17)18)9-11(10)12-3-2-8-20-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyMNHUGXFMVXYTMX-UHFFFAOYSA-N
XLogP1.94
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]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-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid (CID 122018203) is 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid is CC1=C(c2ccco2)CN(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid?
The InChIKey is MNHUGXFMVXYTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-5-7-16(14(19)15-6-4-13(17)18)9-11(10)12-3-2-8-20-12/h2-3,8H,4-7,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid?
3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).