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

C9H12N4O4 — CID 43465791

IUPAC2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H12N4O4/c14-6(3-10-4-7(15)16)11-9-13-12-8(17-9)5-1-2-5/h5,10H,1-4H2,(H,15,16)(H,11,13,14)
InChIKeyUQGYICATLCVDAH-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.44
Rot. Bonds6

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

2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43465791) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43465791
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H12N4O4/c14-6(3-10-4-7(15)16)11-9-13-12-8(17-9)5-1-2-5/h5,10H,1-4H2,(H,15,16)(H,11,13,14)
InChIKeyUQGYICATLCVDAH-UHFFFAOYSA-N
XLogP-0.44
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 43465791) is 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is O=C(O)CNCC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is UQGYICATLCVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c14-6(3-10-4-7(15)16)11-9-13-12-8(17-9)5-1-2-5/h5,10H,1-4H2,(H,15,16)(H,11,13,14).
What are the key properties of 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 240.22 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).