(2S)-2-(dimethylamino)propanoic acid;hydrochloride

C5H12ClNO2 — CID 71350321

IUPAC(2S)-2-(dimethylamino)propanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(5(7)8)6(2)3;/h4H,1-3H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyBBAXRWHVFQQQEC-WCCKRBBISA-N
MW153.61 g/mol
LogP0.44
Rot. Bonds2

About (2S)-2-(dimethylamino)propanoic acid;hydrochloride

(2S)-2-(dimethylamino)propanoic acid;hydrochloride (PubChem CID 71350321) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)propanoic acid;hydrochloride
PubChem CID71350321
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2S)-2-(dimethylamino)propanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N(C)C.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(5(7)8)6(2)3;/h4H,1-3H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyBBAXRWHVFQQQEC-WCCKRBBISA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

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acetic acid;2-(dimethylamino)propanoic acid;guanidine
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2-(dimethylamino)propanoic acid;1-hydroxysulfanylpropane
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CID 166644612
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
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5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
CID 174765019
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
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1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-(dimethylamino)propanoic acid;hydrochloride (CID 71350321) is (2S)-2-(dimethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(dimethylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-(dimethylamino)propanoic acid;hydrochloride is C[C@@H](C(=O)O)N(C)C.Cl.
What is the InChIKey of (2S)-2-(dimethylamino)propanoic acid;hydrochloride?
The InChIKey is BBAXRWHVFQQQEC-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(5(7)8)6(2)3;/h4H,1-3H3,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-(dimethylamino)propanoic acid;hydrochloride?
(2S)-2-(dimethylamino)propanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 71350321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).