2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid

C14H24N4O3 — CID 79263256

IUPAC2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)n1nccc1NC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)18-11(6-7-15-18)16-12(19)8-17(9-13(20)21)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyZHXVSVPURKQLJB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds6

About 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid

2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid (PubChem CID 79263256) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
PubChem CID79263256
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)n1nccc1NC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H24N4O3/c1-10(2)18-11(6-7-15-18)16-12(19)8-17(9-13(20)21)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyZHXVSVPURKQLJB-UHFFFAOYSA-N
XLogP1.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid (CID 79263256) is 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid is CC(C)n1nccc1NC(=O)CN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The InChIKey is ZHXVSVPURKQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)18-11(6-7-15-18)16-12(19)8-17(9-13(20)21)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,16,19)(H,20,21).
What are the key properties of 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 79263256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).