2-(dimethylamino)propanoic acid

C5H11NO2 — CID 11788290

IUPAC2-(dimethylamino)propanoic acid
SMILESCC(C(=O)O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)
InChIKeyQCYOIFVBYZNUNW-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.02
Rot. Bonds2

About 2-(dimethylamino)propanoic acid

2-(dimethylamino)propanoic acid (PubChem CID 11788290) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid
PubChem CID11788290
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(dimethylamino)propanoic acid
SMILESCC(C(=O)O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)
InChIKeyQCYOIFVBYZNUNW-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid?
The IUPAC name of 2-(dimethylamino)propanoic acid (CID 11788290) is 2-(dimethylamino)propanoic acid.
What is the SMILES notation for 2-(dimethylamino)propanoic acid?
The canonical SMILES for 2-(dimethylamino)propanoic acid is CC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)propanoic acid?
The InChIKey is QCYOIFVBYZNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid?
2-(dimethylamino)propanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid is sourced from PubChem (CID 11788290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).