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

C12H16N4O4 — CID 43442077

IUPAC1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H16N4O4/c17-9(6-16-5-1-2-8(16)11(18)19)13-12-15-14-10(20-12)7-3-4-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17)
InChIKeyBZWLMBKDDVQTMY-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.43
Rot. Bonds5

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

1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442077) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43442077
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H16N4O4/c17-9(6-16-5-1-2-8(16)11(18)19)13-12-15-14-10(20-12)7-3-4-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17)
InChIKeyBZWLMBKDDVQTMY-UHFFFAOYSA-N
XLogP0.43
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43442077) is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCCC1C(=O)O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BZWLMBKDDVQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-9(6-16-5-1-2-8(16)11(18)19)13-12-15-14-10(20-12)7-3-4-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17).
What are the key properties of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).