(2R)-2-(dimethylamino)pentanoic acid;hydrochloride

C7H16ClNO2 — CID 155821050

IUPAC(2R)-2-(dimethylamino)pentanoic acid;hydrochloride
SMILESCCC[C@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-5-6(7(9)10)8(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyDBLQIHMVMZWPPY-FYZOBXCZSA-N
MW181.66 g/mol
LogP1.22
Rot. Bonds4

About (2R)-2-(dimethylamino)pentanoic acid;hydrochloride

(2R)-2-(dimethylamino)pentanoic acid;hydrochloride (PubChem CID 155821050) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)pentanoic acid;hydrochloride
PubChem CID155821050
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(2R)-2-(dimethylamino)pentanoic acid;hydrochloride
SMILESCCC[C@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-5-6(7(9)10)8(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyDBLQIHMVMZWPPY-FYZOBXCZSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)pentanoic acid;hydrochloride?
The IUPAC name of (2R)-2-(dimethylamino)pentanoic acid;hydrochloride (CID 155821050) is (2R)-2-(dimethylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(dimethylamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-(dimethylamino)pentanoic acid;hydrochloride is CCC[C@H](C(=O)O)N(C)C.Cl.
What is the InChIKey of (2R)-2-(dimethylamino)pentanoic acid;hydrochloride?
The InChIKey is DBLQIHMVMZWPPY-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-5-6(7(9)10)8(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-(dimethylamino)pentanoic acid;hydrochloride?
(2R)-2-(dimethylamino)pentanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 155821050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).