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

C12H20N4O4 — CID 43631586

IUPAC2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1nnc(C(C)C)o1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-4-5-8(11(18)19)13-6-9(17)14-12-16-15-10(20-12)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,18,19)(H,14,16,17)
InChIKeyZEQPOHLGQNDSQR-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.97
Rot. Bonds8

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

2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid (PubChem CID 43631586) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid
PubChem CID43631586
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1nnc(C(C)C)o1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-4-5-8(11(18)19)13-6-9(17)14-12-16-15-10(20-12)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,18,19)(H,14,16,17)
InChIKeyZEQPOHLGQNDSQR-UHFFFAOYSA-N
XLogP0.97
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid (CID 43631586) is 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid is CCCC(NCC(=O)Nc1nnc(C(C)C)o1)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid?
The InChIKey is ZEQPOHLGQNDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-5-8(11(18)19)13-6-9(17)14-12-16-15-10(20-12)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,18,19)(H,14,16,17).
What are the key properties of 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid?
2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]pentanoic acid is sourced from PubChem (CID 43631586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).