(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid

C10H11NO4 — CID 94917226

IUPAC(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9(8-2-1-5-15-8)11-4-3-7(6-11)10(13)14/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m0/s1
InChIKeyYAHXZVBDLJPGBU-ZETCQYMHSA-N
MW209.20 g/mol
LogP0.83
Rot. Bonds2

About (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 94917226) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID94917226
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C10H11NO4/c12-9(8-2-1-5-15-8)11-4-3-7(6-11)10(13)14/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m0/s1
InChIKeyYAHXZVBDLJPGBU-ZETCQYMHSA-N
XLogP0.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(furan-2-carbonyl)pyrrolidine-3-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-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1-(furan-2-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 74246742
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 94917226) is (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YAHXZVBDLJPGBU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(8-2-1-5-15-8)11-4-3-7(6-11)10(13)14/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94917226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).