3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride

C11H16ClNO2 — CID 12520909

IUPAC3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride
SMILESCN(C)C(CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);1H
InChIKeyRQQZWCPAQWVRTC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.19
Rot. Bonds4

About 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride

3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride (PubChem CID 12520909) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride
PubChem CID12520909
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride
SMILESCN(C)C(CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);1H
InChIKeyRQQZWCPAQWVRTC-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride (CID 12520909) is 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride is CN(C)C(CC(=O)O)c1ccccc1.Cl.
What is the InChIKey of 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride?
The InChIKey is RQQZWCPAQWVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride?
3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 12520909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).