2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid

C13H22N4O4 — CID 79263253

IUPAC2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)c1nnc(NC(=O)CN(CC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C13H22N4O4/c1-8(2)11-15-16-12(21-11)14-9(18)6-17(7-10(19)20)13(3,4)5/h8H,6-7H2,1-5H3,(H,19,20)(H,14,16,18)
InChIKeyIJHNPSPGVLSIQW-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.32
Rot. Bonds6

About 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid

2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid (PubChem CID 79263253) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
PubChem CID79263253
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)c1nnc(NC(=O)CN(CC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C13H22N4O4/c1-8(2)11-15-16-12(21-11)14-9(18)6-17(7-10(19)20)13(3,4)5/h8H,6-7H2,1-5H3,(H,19,20)(H,14,16,18)
InChIKeyIJHNPSPGVLSIQW-UHFFFAOYSA-N
XLogP1.32
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid (CID 79263253) is 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid is CC(C)c1nnc(NC(=O)CN(CC(=O)O)C(C)(C)C)o1.
What is the InChIKey of 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
The InChIKey is IJHNPSPGVLSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-8(2)11-15-16-12(21-11)14-9(18)6-17(7-10(19)20)13(3,4)5/h8H,6-7H2,1-5H3,(H,19,20)(H,14,16,18).
What are the key properties of 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid?
2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 79263253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).