3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid

C17H17N3O3 — CID 56719656

IUPAC3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESN#Cc1ccccc1-c1ccc(CN2CCC(N)(C(=O)O)C2)o1
InChIInChI=1S/C17H17N3O3/c18-9-12-3-1-2-4-14(12)15-6-5-13(23-15)10-20-8-7-17(19,11-20)16(21)22/h1-6H,7-8,10-11,19H2,(H,21,22)
InChIKeyUJDZFCJHOVXVIJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 56719656) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID56719656
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESN#Cc1ccccc1-c1ccc(CN2CCC(N)(C(=O)O)C2)o1
InChIInChI=1S/C17H17N3O3/c18-9-12-3-1-2-4-14(12)15-6-5-13(23-15)10-20-8-7-17(19,11-20)16(21)22/h1-6H,7-8,10-11,19H2,(H,21,22)
InChIKeyUJDZFCJHOVXVIJ-UHFFFAOYSA-N
XLogP1.81
TPSA103.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324750
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719056
2-[5-[(9,9-dimethyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)methyl]furan-2-yl]benzonitrile
CID 138387730
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99953712
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
CID 50979162
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324790
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 56719656) is 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is N#Cc1ccccc1-c1ccc(CN2CCC(N)(C(=O)O)C2)o1.
What is the InChIKey of 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UJDZFCJHOVXVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-9-12-3-1-2-4-14(12)15-6-5-13(23-15)10-20-8-7-17(19,11-20)16(21)22/h1-6H,7-8,10-11,19H2,(H,21,22).
What are the key properties of 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56719656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).