2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid

C11H22N2O3 — CID 43468023

IUPAC2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)
InChIKeyRAAPXVRHYBAJQU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds2

About 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid

2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 43468023) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID43468023
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)
InChIKeyRAAPXVRHYBAJQU-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 43468023) is 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid is CC(C)(C)NC(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is RAAPXVRHYBAJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid?
2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43468023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).