1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C13H16N2O5 — CID 43355669

IUPAC1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccoc1
InChIInChI=1S/C13H16N2O5/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19)
InChIKeyYPVONRIGBWIEKD-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.48
Rot. Bonds5

About 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355669) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43355669
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccoc1
InChIInChI=1S/C13H16N2O5/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19)
InChIKeyYPVONRIGBWIEKD-UHFFFAOYSA-N
XLogP0.48
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic 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

1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 115775397
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47089544
1-[3-(2-methylanilino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 43355669) is 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is O=C(NCCC(=O)N1CCCC1C(=O)O)c1ccoc1.
What is the InChIKey of 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YPVONRIGBWIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19).
What are the key properties of 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).