bis(2-methylbutan-2-yl)carbamic acid

C11H23NO2 — CID 87717839

IUPACbis(2-methylbutan-2-yl)carbamic acid
SMILESCCC(C)(C)N(C(=O)O)C(C)(C)CC
InChIInChI=1S/C11H23NO2/c1-7-10(3,4)12(9(13)14)11(5,6)8-2/h7-8H2,1-6H3,(H,13,14)
InChIKeyBEJPIUUBJHQUER-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.34
Rot. Bonds4

About bis(2-methylbutan-2-yl)carbamic acid

bis(2-methylbutan-2-yl)carbamic acid (PubChem CID 87717839) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is bis(2-methylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Namebis(2-methylbutan-2-yl)carbamic acid
PubChem CID87717839
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebis(2-methylbutan-2-yl)carbamic acid
SMILESCCC(C)(C)N(C(=O)O)C(C)(C)CC
InChIInChI=1S/C11H23NO2/c1-7-10(3,4)12(9(13)14)11(5,6)8-2/h7-8H2,1-6H3,(H,13,14)
InChIKeyBEJPIUUBJHQUER-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-yl)carbamic acid?
The IUPAC name of bis(2-methylbutan-2-yl)carbamic acid (CID 87717839) is bis(2-methylbutan-2-yl)carbamic acid.
What is the SMILES notation for bis(2-methylbutan-2-yl)carbamic acid?
The canonical SMILES for bis(2-methylbutan-2-yl)carbamic acid is CCC(C)(C)N(C(=O)O)C(C)(C)CC.
What is the InChIKey of bis(2-methylbutan-2-yl)carbamic acid?
The InChIKey is BEJPIUUBJHQUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-10(3,4)12(9(13)14)11(5,6)8-2/h7-8H2,1-6H3,(H,13,14).
What are the key properties of bis(2-methylbutan-2-yl)carbamic acid?
bis(2-methylbutan-2-yl)carbamic acid has a molecular weight of 201.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-yl)carbamic acid is sourced from PubChem (CID 87717839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).