2-(diethylamino)propanoic acid

C7H15NO2 — CID 15115622

IUPAC2-(diethylamino)propanoic acid
SMILESCCN(CC)C(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyYHZCTZGJKHNVQY-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds4

About 2-(diethylamino)propanoic acid

2-(diethylamino)propanoic acid (PubChem CID 15115622) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(diethylamino)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)propanoic acid
PubChem CID15115622
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(diethylamino)propanoic acid
SMILESCCN(CC)C(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyYHZCTZGJKHNVQY-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Trisodium dicarboxymethyl alaninate
CID 11021984
N,N-Dimethylalanine
CID 5488191
N,N-Diethylglycine
CID 74151
2-[Cyclopropyl(methyl)amino]acetic acid
CID 43265135
N-ethylalanine
CID 12003149
2,2'-(Propan-2-ylimino)diacetic acid
CID 219559
2-Pyrrolidin-1-ylpropanoic acid
CID 3157177
N,N-Bis(carboxymethyl)alanine
CID 425415
2,2-Dimethylnitrilotriacetate
CID 3082043
Methylbetain
CID 11355498
N,N-Dipropyl-L-alanine
CID 14274716
alpha-N,N,N-Trimethylalanine
CID 78265175

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)propanoic acid?
The IUPAC name of 2-(diethylamino)propanoic acid (CID 15115622) is 2-(diethylamino)propanoic acid.
What is the SMILES notation for 2-(diethylamino)propanoic acid?
The canonical SMILES for 2-(diethylamino)propanoic acid is CCN(CC)C(C)C(=O)O.
What is the InChIKey of 2-(diethylamino)propanoic acid?
The InChIKey is YHZCTZGJKHNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-(diethylamino)propanoic acid?
2-(diethylamino)propanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)propanoic acid is sourced from PubChem (CID 15115622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).