2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid

C14H24N4O3 — CID 79812957

IUPAC2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)Nc1ccnn1C(C)C)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-5-14(6-2,13(20)21)15-9-12(19)17-11-7-8-16-18(11)10(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyGIUBSTYBHNOFPJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.64
Rot. Bonds8

About 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid

2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid (PubChem CID 79812957) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid
PubChem CID79812957
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)Nc1ccnn1C(C)C)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-5-14(6-2,13(20)21)15-9-12(19)17-11-7-8-16-18(11)10(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyGIUBSTYBHNOFPJ-UHFFFAOYSA-N
XLogP1.64
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid (CID 79812957) is 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid is CCC(CC)(NCC(=O)Nc1ccnn1C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid?
The InChIKey is GIUBSTYBHNOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-14(6-2,13(20)21)15-9-12(19)17-11-7-8-16-18(11)10(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid?
2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]butanoic acid is sourced from PubChem (CID 79812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).