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

C21H24N2O4 — CID 122027840

IUPAC4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC=C(c2ccco2)C1
InChIInChI=1S/C21H24N2O4/c24-20(25)11-10-18(14-16-6-2-1-3-7-16)22-21(26)23-12-4-8-17(15-23)19-9-5-13-27-19/h1-3,5-9,13,18H,4,10-12,14-15H2,(H,22,26)(H,24,25)
InChIKeyHFIMHMOLJSFLAD-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.55
Rot. Bonds7

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

4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027840) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027840
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC=C(c2ccco2)C1
InChIInChI=1S/C21H24N2O4/c24-20(25)11-10-18(14-16-6-2-1-3-7-16)22-21(26)23-12-4-8-17(15-23)19-9-5-13-27-19/h1-3,5-9,13,18H,4,10-12,14-15H2,(H,22,26)(H,24,25)
InChIKeyHFIMHMOLJSFLAD-UHFFFAOYSA-N
XLogP3.55
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028373
4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
CID 122027724
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027397
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122027119
5-phenyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]pentanoic acid
CID 122028250
4-[(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122028253

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027840) is 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC=C(c2ccco2)C1.
What is the InChIKey of 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is HFIMHMOLJSFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)11-10-18(14-16-6-2-1-3-7-16)22-21(26)23-12-4-8-17(15-23)19-9-5-13-27-19/h1-3,5-9,13,18H,4,10-12,14-15H2,(H,22,26)(H,24,25).
What are the key properties of 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).