4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane

C11H23NO3 — CID 144627626

IUPAC4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane
SMILESCC.CN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO3.C2H6/c1-9(2,3)10(4)7(11)5-6-8(12)13;1-2/h5-6H2,1-4H3,(H,12,13);1-2H3
InChIKeyPYEMKFNAYBFNFW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.13
Rot. Bonds3

About 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane

4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane (PubChem CID 144627626) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane.

Molecular Properties

Compound Name4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane
PubChem CID144627626
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane
SMILESCC.CN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO3.C2H6/c1-9(2,3)10(4)7(11)5-6-8(12)13;1-2/h5-6H2,1-4H3,(H,12,13);1-2H3
InChIKeyPYEMKFNAYBFNFW-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane?
The IUPAC name of 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane (CID 144627626) is 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane.
What is the SMILES notation for 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane?
The canonical SMILES for 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane is CC.CN(C(=O)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane?
The InChIKey is PYEMKFNAYBFNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C2H6/c1-9(2,3)10(4)7(11)5-6-8(12)13;1-2/h5-6H2,1-4H3,(H,12,13);1-2H3.
What are the key properties of 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane?
4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane has a molecular weight of 217.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(methyl)amino]-4-oxobutanoic acid;ethane is sourced from PubChem (CID 144627626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).