3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

C12H14N4O4 — CID 107324790

IUPAC3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C12H14N4O4/c13-12(11(17)18)3-4-16(7-12)6-9-14-15-10(20-9)8-2-1-5-19-8/h1-2,5H,3-4,6-7,13H2,(H,17,18)
InChIKeyPHNOHSKUJQNLBY-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.32
Rot. Bonds4

About 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324790) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID107324790
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C12H14N4O4/c13-12(11(17)18)3-4-16(7-12)6-9-14-15-10(20-9)8-2-1-5-19-8/h1-2,5H,3-4,6-7,13H2,(H,17,18)
InChIKeyPHNOHSKUJQNLBY-UHFFFAOYSA-N
XLogP0.32
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 35486547
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 9442964
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
(4-fluorophenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 36875761
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 35127035
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 107324790) is 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(Cc2nnc(-c3ccco3)o2)C1.
What is the InChIKey of 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PHNOHSKUJQNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c13-12(11(17)18)3-4-16(7-12)6-9-14-15-10(20-9)8-2-1-5-19-8/h1-2,5H,3-4,6-7,13H2,(H,17,18).
What are the key properties of 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).