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

C12H16N4O4 — CID 60834516

IUPAC2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1nnc(C2CC2)o1)C1CC1
InChIInChI=1S/C12H16N4O4/c17-9(5-16(6-10(18)19)8-3-4-8)13-12-15-14-11(20-12)7-1-2-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17)
InChIKeyQXCVKYSXBUDGOA-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.43
Rot. Bonds7

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

2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 60834516) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID60834516
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1nnc(C2CC2)o1)C1CC1
InChIInChI=1S/C12H16N4O4/c17-9(5-16(6-10(18)19)8-3-4-8)13-12-15-14-11(20-12)7-1-2-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17)
InChIKeyQXCVKYSXBUDGOA-UHFFFAOYSA-N
XLogP0.43
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 60834516) is 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is O=C(O)CN(CC(=O)Nc1nnc(C2CC2)o1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is QXCVKYSXBUDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-9(5-16(6-10(18)19)8-3-4-8)13-12-15-14-11(20-12)7-1-2-7/h7-8H,1-6H2,(H,18,19)(H,13,15,17).
What are the key properties of 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).