2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride

C5H12ClNO3 — CID 87309303

IUPAC2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
SMILESCN(C)C(CO)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-6(2)4(3-7)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H
InChIKeyOEBUOPQUNHMFFN-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.58
Rot. Bonds3

About 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride

2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride (PubChem CID 87309303) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
PubChem CID87309303
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
SMILESCN(C)C(CO)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-6(2)4(3-7)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H
InChIKeyOEBUOPQUNHMFFN-UHFFFAOYSA-N
XLogP-0.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
CID 57128286
(2S)-3-hydroxy-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 176549351
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
CID 104711278
2-[bis(2-chloropropyl)amino]-3-hydroxypropanoic acid
CID 22316289
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
CID 106676156
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride (CID 87309303) is 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride is CN(C)C(CO)C(=O)O.Cl.
What is the InChIKey of 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride?
The InChIKey is OEBUOPQUNHMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-6(2)4(3-7)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H.
What are the key properties of 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride?
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride is sourced from PubChem (CID 87309303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).