1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid

C9H12N4O4 — CID 106403250

IUPAC1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ncon2)C1
InChIInChI=1S/C9H12N4O4/c14-8(15)6-1-2-13(4-6)9(16)10-3-7-11-5-17-12-7/h5-6H,1-4H2,(H,10,16)(H,14,15)
InChIKeyRXLGOMWEXZELLB-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.31
Rot. Bonds3

About 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 106403250) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID106403250
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ncon2)C1
InChIInChI=1S/C9H12N4O4/c14-8(15)6-1-2-13(4-6)9(16)10-3-7-11-5-17-12-7/h5-6H,1-4H2,(H,10,16)(H,14,15)
InChIKeyRXLGOMWEXZELLB-UHFFFAOYSA-N
XLogP-0.31
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 106394645
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031407
1-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016251
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106404747
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106403146
1-[(4-bromo-2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011027
1-[(1-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015624
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 106403250) is 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ncon2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RXLGOMWEXZELLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c14-8(15)6-1-2-13(4-6)9(16)10-3-7-11-5-17-12-7/h5-6H,1-4H2,(H,10,16)(H,14,15).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106403250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).