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

C18H20N4O3 — CID 56719056

IUPAC3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCn1c(-c2ccc(CN3CCC(N)(C(=O)O)C3)o2)nc2ccccc21
InChIInChI=1S/C18H20N4O3/c1-21-14-5-3-2-4-13(14)20-16(21)15-7-6-12(25-15)10-22-9-8-18(19,11-22)17(23)24/h2-7H,8-11,19H2,1H3,(H,23,24)
InChIKeyKADFAQSZSUJMBI-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.82
Rot. Bonds4

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

3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 56719056) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID56719056
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCn1c(-c2ccc(CN3CCC(N)(C(=O)O)C3)o2)nc2ccccc21
InChIInChI=1S/C18H20N4O3/c1-21-14-5-3-2-4-13(14)20-16(21)15-7-6-12(25-15)10-22-9-8-18(19,11-22)17(23)24/h2-7H,8-11,19H2,1H3,(H,23,24)
InChIKeyKADFAQSZSUJMBI-UHFFFAOYSA-N
XLogP1.82
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
CID 665081
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719656
3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 56710153
1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 56868374
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56710024
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
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
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 56719056) is 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is Cn1c(-c2ccc(CN3CCC(N)(C(=O)O)C3)o2)nc2ccccc21.
What is the InChIKey of 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KADFAQSZSUJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-14-5-3-2-4-13(14)20-16(21)15-7-6-12(25-15)10-22-9-8-18(19,11-22)17(23)24/h2-7H,8-11,19H2,1H3,(H,23,24).
What are the key properties of 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56719056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).