4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

C20H24N2O4 — CID 122028373

IUPAC4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCCC1c1ccco1
InChIInChI=1S/C20H24N2O4/c23-19(24)11-10-16(14-15-6-2-1-3-7-15)21-20(25)22-12-4-8-17(22)18-9-5-13-26-18/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,21,25)(H,23,24)
InChIKeyRDPCWADJGMDSIH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.60
Rot. Bonds7

About 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122028373) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122028373
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCCC1c1ccco1
InChIInChI=1S/C20H24N2O4/c23-19(24)11-10-16(14-15-6-2-1-3-7-15)21-20(25)22-12-4-8-17(22)18-9-5-13-26-18/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,21,25)(H,23,24)
InChIKeyRDPCWADJGMDSIH-UHFFFAOYSA-N
XLogP3.60
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 122028391
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122028366
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027840
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122028373) is 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCCC1c1ccco1.
What is the InChIKey of 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is RDPCWADJGMDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(24)11-10-16(14-15-6-2-1-3-7-15)21-20(25)22-12-4-8-17(22)18-9-5-13-26-18/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).