3-(dimethylamino)propanoic acid;hydrochloride

C5H12ClNO2 — CID 11586327

IUPAC3-(dimethylamino)propanoic acid;hydrochloride
SMILESCN(C)CCC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H
InChIKeyJTNKXYWGZCNBCH-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.44
Rot. Bonds3

About 3-(dimethylamino)propanoic acid;hydrochloride

3-(dimethylamino)propanoic acid;hydrochloride (PubChem CID 11586327) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 3-(dimethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propanoic acid;hydrochloride
PubChem CID11586327
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name3-(dimethylamino)propanoic acid;hydrochloride
SMILESCN(C)CCC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H
InChIKeyJTNKXYWGZCNBCH-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)propanoic acid;hydrochloride (CID 11586327) is 3-(dimethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propanoic acid;hydrochloride is CN(C)CCC(=O)O.Cl.
What is the InChIKey of 3-(dimethylamino)propanoic acid;hydrochloride?
The InChIKey is JTNKXYWGZCNBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H.
What are the key properties of 3-(dimethylamino)propanoic acid;hydrochloride?
3-(dimethylamino)propanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 11586327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).