2-(diethylamino)-2-methylpropanoic acid

C8H17NO2 — CID 22902537

IUPAC2-(diethylamino)-2-methylpropanoic acid
SMILESCCN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5-9(6-2)8(3,4)7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKeyFZWIOCPCWMSNIU-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds4

About 2-(diethylamino)-2-methylpropanoic acid

2-(diethylamino)-2-methylpropanoic acid (PubChem CID 22902537) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(diethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-methylpropanoic acid
PubChem CID22902537
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(diethylamino)-2-methylpropanoic acid
SMILESCCN(CC)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5-9(6-2)8(3,4)7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKeyFZWIOCPCWMSNIU-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(diethylamino)-2-methylpropanoic acid (CID 22902537) is 2-(diethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(diethylamino)-2-methylpropanoic acid is CCN(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-(diethylamino)-2-methylpropanoic acid?
The InChIKey is FZWIOCPCWMSNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9(6-2)8(3,4)7(10)11/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-(diethylamino)-2-methylpropanoic acid?
2-(diethylamino)-2-methylpropanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 22902537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).