2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid

C13H26N2O3 — CID 113471918

IUPAC2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCCCC(C)(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-8-13(5,6)14-11(18)15(9-10(16)17)12(2,3)4/h7-9H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyQJCDQLZASLAPPJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds5

About 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 113471918) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
PubChem CID113471918
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCCCC(C)(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-8-13(5,6)14-11(18)15(9-10(16)17)12(2,3)4/h7-9H2,1-6H3,(H,14,18)(H,16,17)
InChIKeyQJCDQLZASLAPPJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid (CID 113471918) is 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid is CCCC(C)(C)NC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is QJCDQLZASLAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-8-13(5,6)14-11(18)15(9-10(16)17)12(2,3)4/h7-9H2,1-6H3,(H,14,18)(H,16,17).
What are the key properties of 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 113471918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).