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

C13H18N4O4 — CID 43441273

IUPAC1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C13H18N4O4/c18-10(7-17-6-2-1-3-9(17)12(19)20)14-13-16-15-11(21-13)8-4-5-8/h8-9H,1-7H2,(H,19,20)(H,14,16,18)
InChIKeyIOXKBLDJUJVDJJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.82
Rot. Bonds5

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

1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441273) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441273
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C13H18N4O4/c18-10(7-17-6-2-1-3-9(17)12(19)20)14-13-16-15-11(21-13)8-4-5-8/h8-9H,1-7H2,(H,19,20)(H,14,16,18)
InChIKeyIOXKBLDJUJVDJJ-UHFFFAOYSA-N
XLogP0.82
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.82
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]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441273) is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is O=C(CN1CCCCC1C(=O)O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is IOXKBLDJUJVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c18-10(7-17-6-2-1-3-9(17)12(19)20)14-13-16-15-11(21-13)8-4-5-8/h8-9H,1-7H2,(H,19,20)(H,14,16,18).
What are the key properties of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.82, 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]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).